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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 23 results

Search term: VDGOFNMYZYBUDT (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4977574

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6+/t17-,21+,22+,23-/m0/s1
C23H28O8432.4636333100
24534088

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6+/t17-,21+,22-,23-/m0/s1
C23H28O8432.4636181600
4907980

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6+
C23H28O8432.46365400
539922

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)
C23H28O8432.46363200
4526588

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6-
C23H28O8432.46363400
4533373

Double-bond stereo

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6+/t17?,21?,22?,23-/m0/s1
C23H28O8432.46363300
88298323

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6+/t17-,21-,22+,23+/m1/s1
C23H28O8432.46363200
57618069

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5u,14-6+/t17-,21+,22+,23-/m0/s1
C23H28O8432.46363200
58792251

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6+/t17-,21-,22-,23+/m1/s1
C23H28O8432.46363300
60958813

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6-/t17-,21+,22+,23?/m0/s1
C23H28O8432.46362200
82964517

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6+/t17-,21+,22+,23-/m1/s1
C23H28O8432.46362100
113607724

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5u,14-6+/t17-,21-,22-,23+/m1/s1
C23H28O8432.46361100
113611978

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5u,14-6-/t17-,21+,22+,23+/m0/s1
C23H28O8432.46361100
114392107

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5u,14-6-/t17-,21+,22+,23+/m1/s1
C23H28O8432.46361100
114814173

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6u/t17-,21+,22-,23+/m0/s1
C23H28O8432.46361100
128946716

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5u,14-6+/t17-,21-,22+,23+/m1/s1
C23H28O8432.46361100
78430062

Double-bond stereo

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6-/t17-,21?,22?,23?/m1/s1
C23H28O8432.46361100
78430863

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6+/t17-,21+,22+,23+/m1/s1
C23H28O8432.46361100
78432791

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/t17-,21+,22+,23-/m0/s1
C23H28O8432.46361100
78433962

Double-bond stereo

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6-/t17-,21?,22?,23?/m0/s1
C23H28O8432.46361100
12

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