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
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Found 4 results

Search term: VTQDHTGCEHYFFV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
315875

1 of 9 defined stereocentres - 1/9 defined
InChI=1/C29H32O13/c1-11-36-9-19-26(40-11)23(31)24(32)29(41-19)42-25-15-4-13-8-37-28(33)21(13)20(14(15)7-18-27(25)39-10-38-18)12-5-16(34-2)22(30)17(6-12)35-3/h5-7,11,13,19-21,23-24,26,29-32H,4,8-10H2,1-3H3/t11?,13-,19?,20?,21?,23?,24?,26?,29?/m0/s1
C29H32O13588.55663200
2942340

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C29H32O13/c1-11-36-9-19-26(40-11)23(31)24(32)29(41-19)42-25-15-4-13-8-37-28(33)21(13)20(14(15)7-18-27(25)39-10-38-18)12-5-16(34-2)22(30)17(6-12)35-3/h5-7,11,13,19-21,23-24,26,29-32H,4,8-10H2,1-3H3
C29H32O13588.5565799999993200
34229630

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H32O13/c1-11-36-9-19-26(40-11)23(31)24(32)29(41-19)42-25-15-4-13-8-37-28(33)21(13)20(14(15)7-18-27(25)39-10-38-18)12-5-16(34-2)22(30)17(6-12)35-3/h5-7,11,13,19-21,23-24,26,29-32H,4,8-10H2,1-3H3/t11-,13+,19+,20-,21+,23-,24+,26-,29+/m1/s1
C29H32O13588.55662200
108539608

3 of 9 defined stereocentres - 3/9 defined
InChI=1/C29H32O13/c1-11-36-9-19-26(40-11)23(31)24(32)29(41-19)42-25-15-4-13-8-37-28(33)21(13)20(14(15)7-18-27(25)39-10-38-18)12-5-16(34-2)22(30)17(6-12)35-3/h5-7,11,13,19-21,23-24,26,29-32H,4,8-10H2,1-3H3/t11?,13-,19?,20-,21+,23?,24?,26?,29?/m0/s1
C29H32O13588.55661100

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