[(4R,5S)-5-acetyloxy-4,5-dihydrobenzo[a]pyren-4-yl] ethanoate

Systemtic Name: [(4R,5S)-5-acetyloxy-4,5-dihydrobenzo[a]pyren-4-yl] ethanoate Openeye Name: [(4R,5S)-5-acetoxy-4,5-dihydrobenzo[a]pyren-4-yl] acetate CAS Name: acetic acid [(4R,5S)-5-acetyloxy-4,5-dihydrobenzo[a]pyren-4-yl] ester IUPAC Name: [(4R,5S)-5-acetyloxy-4,5-dihydrobenzo[a]pyren-4-yl] acetate Traditional Name: acetic acid [(4R,5S)-5-acetoxy-4,5-dihydrobenzo[a]pyren-4-yl] ester Formula: C24H18O4 MolecularWeight: 370.39732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2=CC3=CC=CC=C3C4=C2C5=C(C=CC=C15)C=C4)OC(=O)C

Isomeric SMILES

CC(=O)O[C@H]1[C@H](C2=CC3=CC=CC=C3C4=C2C5=C(C=CC=C15)C=C4)OC(=O)C

InChI

InChI=1S/C24H18O4/c1-13(25)27-23-19-9-5-7-15-10-11-18-17-8-4-3-6-16(17)12-20(22(18)21(15)19)24(23)28-14(2)26/h3-12,23-24H,1-2H3/t23-,24+/m1/s1