benzo[b]pyren-6-ylmethyl benzoate

Systemtic Name: benzo[b]pyren-6-ylmethyl benzoate Openeye Name: benzo[b]pyren-6-ylmethyl benzoate CAS Name: benzoic acid 6-benzo[b]pyrenylmethyl ester IUPAC Name: benzo[b]pyren-6-ylmethyl benzoate Traditional Name: benzoic acid benzo[b]pyren-6-ylmethyl ester Formula: C28H18O2 MolecularWeight: 386.44132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62

InChI

InChI=1S/C28H18O2/c29-28(20-7-2-1-3-8-20)30-17-25-22-12-5-4-11-21(22)23-15-13-18-9-6-10-19-14-16-24(25)27(23)26(18)19/h1-16H,17H2