7,8-dihydrobenzo[b]pyren-6-yl ethanoate

Systemtic Name: 7,8-dihydrobenzo[b]pyren-6-yl ethanoate Openeye Name: 7,8-dihydrobenzo[b]pyren-6-yl acetate CAS Name: acetic acid 7,8-dihydrobenzo[b]pyren-6-yl ester IUPAC Name: 7,8-dihydrobenzo[b]pyren-6-yl acetate Traditional Name: acetic acid 7,8-dihydrobenzo[b]pyren-6-yl ester Formula: C22H16O2 MolecularWeight: 312.36124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=C1CCC=C5

Isomeric SMILES

CC(=O)OC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=C1CCC=C5

InChI

InChI=1S/C22H16O2/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/h2,4-7,9-12H,3,8H2,1H3