benzo[b]pyren-6-yl ethanoate

Systemtic Name: benzo[b]pyren-6-yl ethanoate Openeye Name: benzo[b]pyren-6-yl acetate CAS Name: acetic acid 6-benzo[b]pyrenyl ester IUPAC Name: benzo[b]pyren-6-yl acetate Traditional Name: acetic acid benzo[b]pyren-6-yl ester Formula: C22H14O2 MolecularWeight: 310.34536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

Isomeric SMILES

CC(=O)OC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

InChI

InChI=1S/C22H14O2/c1-13(23)24-22-18-8-3-2-7-16(18)17-11-9-14-5-4-6-15-10-12-19(22)21(17)20(14)15/h2-12H,1H3