benzo[a]pyren-5-yl ethanoate

Systemtic Name: benzo[a]pyren-5-yl ethanoate Openeye Name: benzo[a]pyren-5-yl acetate CAS Name: acetic acid 5-benzo[a]pyrenyl ester IUPAC Name: benzo[a]pyren-5-yl acetate Traditional Name: acetic acid benzo[a]pyren-5-yl ester Formula: C22H14O2 MolecularWeight: 310.34536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=CC=CC3=C2C4=C(C=C3)C5=CC=CC=C5C=C14

Isomeric SMILES

CC(=O)OC1=CC2=CC=CC3=C2C4=C(C=C3)C5=CC=CC=C5C=C14

InChI

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