7,8-dihydrobenzo[a]pyrene-1,2-diol

Systemtic Name: 7,8-dihydrobenzo[a]pyrene-1,2-diol Openeye Name: 7,8-dihydrobenzo[a]pyrene-1,2-diol CAS Name: 7,8-dihydrobenzo[a]pyrene-1,2-diol IUPAC Name: 7,8-dihydrobenzo[a]pyrene-1,2-diol Traditional Name: 7,8-dihydrobenzo[a]pyrene-1,2-diol Formula: C20H14O2 MolecularWeight: 286.32396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C1)C3=C4C(=C2)C=CC5=CC(=C(C(=C54)C=C3)O)O

Isomeric SMILES

C1CC2=C(C=C1)C3=C4C(=C2)C=CC5=CC(=C(C(=C54)C=C3)O)O

InChI

InChI=1S/C20H14O2/c21-17-10-13-6-5-12-9-11-3-1-2-4-14(11)15-7-8-16(20(17)22)19(13)18(12)15/h2,4-10,21-22H,1,3H2