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benzo[a]pyrene-4,5-diol

benzo[a]pyrene-4,5-diol

Systemtic Name:benzo[a]pyrene-4,5-diol
Openeye Name:benzo[a]pyrene-4,5-diol
CAS Name:benzo[a]pyrene-4,5-diol
IUPAC Name:benzo[a]pyrene-4,5-diol
Traditional Name:benzo[a]pyrene-4,5-diol
Formula: C20H12O2
MolecularWeight: 284.30808
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C3=C4C(=CC2=C1)C(=C(C5=CC=CC(=C54)C=C3)O)O


Isomeric SMILES

C1=CC=C2C3=C4C(=CC2=C1)C(=C(C5=CC=CC(=C54)C=C3)O)O


InChI

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


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