Matches any text strings used to describe a molecule.
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 11 results

Search term: PGZCJOPTDHWYES (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
14024

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1
C21H30O2314.4617413901
10263946

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21+/m1/s1
C21H30O2314.4617121000
216730

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3
C21H30O2314.4617101800
5053075

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18?,20?,21-/m0/s1
C21H30O2314.461710700
9198639

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18?,20-,21-/m1/s1
C21H30O2314.46173200
9636022

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21-/m1/s1
C21H30O2314.46172100
8718780

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18?,20-,21-/m1/s1/i10D/t10?,18?,20-,21-
C21H29DO2315.46792100
8933133

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18?,20-,21-/m1/s1/i10D2
C21H28D2O2316.4742100
113606585

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21+/m0/s1
C21H30O2314.46171100
128924444

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1
C21H30O2314.46171100
129233847

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21?/m1/s1
C21H30O2314.46171100

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