methyl 2-benzo[e]pyren-4-ylethanoate

Systemtic Name: methyl 2-benzo[e]pyren-4-ylethanoate Openeye Name: methyl 2-benzo[e]pyren-4-ylacetate CAS Name: 2-(4-benzo[e]pyrenyl)acetic acid methyl ester IUPAC Name: methyl 2-benzo[e]pyren-4-ylacetate Traditional Name: 2-benzo[e]pyren-4-ylacetic acid methyl ester Formula: C23H16O2 MolecularWeight: 324.37194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC2=C3C(=CC=C2)C4=CC=CC=C4C5=C3C1=CC=C5

Isomeric SMILES

COC(=O)CC1=CC2=C3C(=CC=C2)C4=CC=CC=C4C5=C3C1=CC=C5

InChI

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