benzo[a]pyrene-9,10-diol

Systemtic Name: benzo[a]pyrene-9,10-diol Openeye Name: benzo[a]pyrene-9,10-diol CAS Name: benzo[a]pyrene-9,10-diol IUPAC Name: benzo[a]pyrene-9,10-diol Traditional Name: benzo[a]pyrene-9,10-diol Formula: C20H12O2 MolecularWeight: 284.30808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C(=C(C=C5)O)O)C=C2

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C(=C(C=C5)O)O)C=C2

InChI

InChI=1S/C20H12O2/c21-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(18(13)17(11)12)19(14)20(16)22/h1-10,21-22H