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benzo[a]pyrene-3,6-diol

benzo[a]pyrene-3,6-diol

Systemtic Name:benzo[a]pyrene-3,6-diol
Openeye Name:benzo[a]pyrene-3,6-diol
CAS Name:benzo[a]pyrene-3,6-diol
IUPAC Name:benzo[a]pyrene-3,6-diol
Traditional Name:benzo[a]pyrene-3,6-diol
Formula: C20H12O2
MolecularWeight: 284.30808
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C2O)C=CC5=C(C=CC(=C54)C=C3)O


Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C2O)C=CC5=C(C=CC(=C54)C=C3)O


InChI

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


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