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 2 results

Search term: PYDPTALDJCISIJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
118122

7 of 12 defined stereocentres - 7/12 defined
InChI=1/C29H48O7/c1-16(5-4-6-17(27(35)36)7-12-25(33)34)20-10-11-21-26-22(14-24(32)29(20,21)3)28(2)15-19(30)9-8-18(28)13-23(26)31/h16-24,26,30-32H,4-15H2,1-3H3,(H,33,34)(H,35,36)/t16-,17?,18+,19?,20-,21?,22?,23-,24+,26?,28+,29-/m1/s1
C29H48O7508.68722200
19983806

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C29H48O7/c1-16(5-4-6-17(27(35)36)7-12-25(33)34)20-10-11-21-26-22(14-24(32)29(20,21)3)28(2)15-19(30)9-8-18(28)13-23(26)31/h16-24,26,30-32H,4-15H2,1-3H3,(H,33,34)(H,35,36)/t16-,17?,18+,19?,20-,21+,22+,23-,24+,26+,28+,29-/m1/s1
C29H48O7508.68721100

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