methyl 2-benzo[b]pyren-6-ylethanoate

Systemtic Name: methyl 2-benzo[b]pyren-6-ylethanoate Openeye Name: methyl 2-benzo[b]pyren-6-ylacetate CAS Name: 2-(6-benzo[b]pyrenyl)acetic acid methyl ester IUPAC Name: methyl 2-benzo[b]pyren-6-ylacetate Traditional Name: 2-benzo[b]pyren-6-ylacetic acid methyl ester Formula: C23H16O2 MolecularWeight: 324.37194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

Isomeric SMILES

COC(=O)CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

InChI

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