5H-benzo[a]pyrene-4,4,5-triol

Systemtic Name: 5H-benzo[a]pyrene-4,4,5-triol Openeye Name: 5H-benzo[a]pyrene-4,4,5-triol CAS Name: 5H-benzo[a]pyrene-4,4,5-triol IUPAC Name: 5H-benzo[a]pyrene-4,4,5-triol Traditional Name: 5H-benzo[a]pyrene-4,4,5-triol Formula: C20H14O3 MolecularWeight: 302.32336

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H14O3/c21-19-15-10-12-4-1-2-6-13(12)14-9-8-11-5-3-7-16(20(19,22)23)17(11)18(14)15/h1-10,19,21-23H