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 5 results

Search term: FDZGGUZEWBKPAY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17468793

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C32H46O9/c1-18-27-24(40-28(2,3)41-27)14-26(38-18)39-20-5-10-30(17-33)22-6-9-29(4)21(19-13-25(34)37-16-19)8-12-32(29,36)23(22)7-11-31(30,35)15-20/h13,17-18,20-24,26-27,35-36H,5-12,14-16H2,1-4H3/t18-,20?,21-,22+,23-,24?,26+,27?,29-,30+,31+,32+/m1/s1
C32H46O9574.70225200
22938248

2 of 12 defined stereocentres - 2/12 defined
InChI=1/C32H46O9/c1-18-27-24(40-28(2,3)41-27)14-26(38-18)39-20-5-10-30(17-33)22-6-9-29(4)21(19-13-25(34)37-16-19)8-12-32(29,36)23(22)7-11-31(30,35)15-20/h13,17-18,20-24,26-27,35-36H,5-12,14-16H2,1-4H3/t18?,20?,21?,22-,23+,24?,26?,27?,29?,30?,31?,32?/m0/s1
C32H46O9574.70224200
3418532

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C32H46O9/c1-18-27-24(40-28(2,3)41-27)14-26(38-18)39-20-5-10-30(17-33)22-6-9-29(4)21(19-13-25(34)37-16-19)8-12-32(29,36)23(22)7-11-31(30,35)15-20/h13,17-18,20-24,26-27,35-36H,5-12,14-16H2,1-4H3
C32H46O9574.7022399999983100
23298816

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C32H46O9/c1-18-27-24(40-28(2,3)41-27)14-26(38-18)39-20-5-10-30(17-33)22-6-9-29(4)21(19-13-25(34)37-16-19)8-12-32(29,36)23(22)7-11-31(30,35)15-20/h13,17-18,20-24,26-27,35-36H,5-12,14-16H2,1-4H3/t18-,20+,21-,22+,23-,24-,26+,27+,29-,30+,31+,32+/m1/s1
C32H46O9574.70222200

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