methyl (2R,3S)-7-methoxy-2-methyl-3-oxidanyl-6-oxidanylidene-2,3-dihydro-1H-benzo[a]pyrene-11-carboxylate

Systemtic Name: methyl (2R,3S)-7-methoxy-2-methyl-3-oxidanyl-6-oxidanylidene-2,3-dihydro-1H-benzo[a]pyrene-11-carboxylate Openeye Name: methyl (2R,3S)-3-hydroxy-7-methoxy-2-methyl-6-oxo-2,3-dihydro-1H-benzo[a]pyrene-11-carboxylate CAS Name: (2R,3S)-3-hydroxy-7-methoxy-2-methyl-6-oxo-2,3-dihydro-1H-benzo[a]pyrene-11-carboxylic acid methyl ester IUPAC Name: methyl (2R,3S)-3-hydroxy-7-methoxy-2-methyl-6-oxo-2,3-dihydro-1H-benzo[a]pyrene-11-carboxylate Traditional Name: (2R,3S)-3-hydroxy-6-keto-7-methoxy-2-methyl-2,3-dihydro-1H-benzo[a]pyrene-11-carboxylic acid methyl ester Formula: C24H20O5 MolecularWeight: 388.4126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC(=C3C4=C(C(=CC=C4)OC)C(=O)C5=C3C2=C(C1O)C=C5)C(=O)OC

Isomeric SMILES

C[C@@H]1CC2=CC(=C3C4=C(C(=CC=C4)OC)C(=O)C5=C3C2=C([C@H]1O)C=C5)C(=O)OC

InChI

InChI=1S/C24H20O5/c1-11-9-12-10-16(24(27)29-3)19-13-5-4-6-17(28-2)20(13)23(26)15-8-7-14(22(11)25)18(12)21(15)19/h4-8,10-11,22,25H,9H2,1-3H3/t11-,22+/m1/s1