2-benzo[b]pyren-6-ylethyl ethanoate

Systemtic Name: 2-benzo[b]pyren-6-ylethyl ethanoate Openeye Name: 2-benzo[b]pyren-6-ylethyl acetate CAS Name: acetic acid 2-(6-benzo[b]pyrenyl)ethyl ester IUPAC Name: 2-benzo[b]pyren-6-ylethyl acetate Traditional Name: acetic acid 2-benzo[b]pyren-6-ylethyl ester Formula: C24H18O2 MolecularWeight: 338.39852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

Isomeric SMILES

CC(=O)OCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

InChI

InChI=1S/C24H18O2/c1-15(25)26-14-13-20-18-7-2-3-8-19(18)21-11-9-16-5-4-6-17-10-12-22(20)24(21)23(16)17/h2-12H,13-14H2,1H3