benzo[a]pyren-4-yl ethanoate

Systemtic Name: benzo[a]pyren-4-yl ethanoate Openeye Name: benzo[a]pyren-4-yl acetate CAS Name: acetic acid 4-benzo[a]pyrenyl ester IUPAC Name: benzo[a]pyren-4-yl acetate Traditional Name: acetic acid benzo[a]pyren-4-yl ester Formula: C22H14O2 MolecularWeight: 310.34536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=CC3=CC=CC=C3C4=C2C5=C(C=CC=C15)C=C4

Isomeric SMILES

CC(=O)OC1=CC2=CC3=CC=CC=C3C4=C2C5=C(C=CC=C15)C=C4

InChI

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