N-[(9S,10S)-9,10-bis(oxidanyl)-9,10-dihydrobenzo[a]pyren-4-yl]ethanamide

Systemtic Name: N-[(9S,10S)-9,10-bis(oxidanyl)-9,10-dihydrobenzo[a]pyren-4-yl]ethanamide Openeye Name: N-[(9S,10S)-9,10-dihydroxy-9,10-dihydrobenzo[a]pyren-4-yl]acetamide CAS Name: N-[(9S,10S)-9,10-dihydroxy-9,10-dihydrobenzo[a]pyren-4-yl]acetamide IUPAC Name: N-[(9S,10S)-9,10-dihydroxy-9,10-dihydrobenzo[a]pyren-4-yl]acetamide Traditional Name: N-[(9S,10S)-9,10-dihydroxy-9,10-dihydrobenzo[a]pyren-4-yl]acetamide Formula: C22H17NO3 MolecularWeight: 343.37528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=CC3=C(C(C(C=C3)O)O)C4=C2C5=C(C=CC=C15)C=C4

Isomeric SMILES

CC(=O)NC1=CC2=CC3=C([C@@H]([C@H](C=C3)O)O)C4=C2C5=C(C=CC=C15)C=C4

InChI

InChI=1S/C22H17NO3/c1-11(24)23-17-10-14-9-13-6-8-18(25)22(26)21(13)16-7-5-12-3-2-4-15(17)19(12)20(14)16/h2-10,18,22,25-26H,1H3,(H,23,24)/t18-,22+/m0/s1