(9S,10S)-7-(hydroxymethyl)-9,10-dihydrobenzo[a]pyrene-9,10-diol

Systemtic Name: (9S,10S)-7-(hydroxymethyl)-9,10-dihydrobenzo[a]pyrene-9,10-diol Openeye Name: (9S,10S)-7-(hydroxymethyl)-9,10-dihydrobenzo[a]pyrene-9,10-diol CAS Name: (9S,10S)-7-(hydroxymethyl)-9,10-dihydrobenzo[a]pyrene-9,10-diol IUPAC Name: (9S,10S)-7-(hydroxymethyl)-9,10-dihydrobenzo[a]pyrene-9,10-diol Traditional Name: (9S,10S)-7-methylol-9,10-dihydrobenzo[a]pyrene-9,10-diol Formula: C21H16O3 MolecularWeight: 316.34994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C(C(C=C5CO)O)O)C=C2

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4[C@@H]([C@H](C=C5CO)O)O)C=C2

InChI

InChI=1S/C21H16O3/c22-10-14-9-17(23)21(24)20-15-7-6-12-3-1-2-11-4-5-13(8-16(14)20)19(15)18(11)12/h1-9,17,21-24H,10H2/t17-,21+/m0/s1