benzo[b]pyren-6-ylmethyl ethanoate

Systemtic Name: benzo[b]pyren-6-ylmethyl ethanoate Openeye Name: benzo[b]pyren-6-ylmethyl acetate CAS Name: acetic acid 6-benzo[b]pyrenylmethyl ester IUPAC Name: benzo[b]pyren-6-ylmethyl acetate Traditional Name: acetic acid benzo[b]pyren-6-ylmethyl ester Formula: C23H16O2 MolecularWeight: 324.37194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

Isomeric SMILES

CC(=O)OCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

InChI

InChI=1S/C23H16O2/c1-14(24)25-13-21-18-8-3-2-7-17(18)19-11-9-15-5-4-6-16-10-12-20(21)23(19)22(15)16/h2-12H,13H2,1H3