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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 28 results

Search term: FBHSPRKOSMHSIF (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
164861


8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1
C25H31NO6441.51679011350
24883

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3
C25H31NO6441.51671219500
58780421

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1/i2D3
C25H28D3NO6444.53526700
94270017

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1/i1D2,2D3,12D2
C25H24D7NO6448.55996500
94270018

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1/i1D3,12D2
C25H26D5NO6446.54756500
77499174

7 of 8 defined stereocentres - 7/8 defined

Non-standard isotope
InChI=1/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19?,21+,22+,23-,24-,25+/m0/s1/i11D2,19D
C25H28D3NO6444.53523300
23089723

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25?/m0/s1
C25H31NO6441.51673200
23975939

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22?,23-,24-,25+/m0/s1
C25H31NO6441.51673200
58131772

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21-,22-,23-,24-,25+/m0/s1
C25H31NO6441.51672200
8586477

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17?,18?,19-,21+,22?,23-,24-,25+/m0/s1
C25H31NO6441.51672100
58781392

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1/i11D2,19D
C25H28D3NO6444.53522400
62629809

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19+,21-,22+,23-,24-,25-/m1/s1
C25H31NO6441.51672200
107444752

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19+,21+,22+,23-,24-,25+/m0/s1
C25H31NO6441.51672200
114391091

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m1/s1
C25H31NO6441.51671100
114392597

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21?,22+,23-,24-,25?/m0/s1
C25H31NO6441.51671100
114815690

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18+,19+,21-,22-,23+,24-,25-/m1/s1
C25H31NO6441.51671100
115009447

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1/i5D2,9D,12D2
C25H26D5NO6446.54751100
88301716

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18+,19+,21-,22-,23+,24+,25-/m1/s1
C25H31NO6441.51671100
58816060

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24?,25+/m0/s1
C25H31NO6441.51671200
12

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