(5R,6S)-2,2-diethoxy-6-nitro-5,6-diphenyl-hexan-3-one

Systemtic Name: (5R,6S)-2,2-diethoxy-6-nitro-5,6-diphenyl-hexan-3-one Openeye Name: (5R,6S)-2,2-diethoxy-6-nitro-5,6-diphenyl-hexan-3-one CAS Name: (5R,6S)-2,2-diethoxy-6-nitro-5,6-diphenyl-3-hexanone IUPAC Name: (5R,6S)-2,2-diethoxy-6-nitro-5,6-diphenylhexan-3-one Traditional Name: (5R,6S)-2,2-diethoxy-6-nitro-5,6-diphenyl-hexan-3-one Formula: C22H27NO5 MolecularWeight: 385.45348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)(C(=O)CC(C1=CC=CC=C1)C(C2=CC=CC=C2)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC(C)(C(=O)C[C@H](C1=CC=CC=C1)[C@@H](C2=CC=CC=C2)[N+](=O)[O-])OCC

InChI

InChI=1S/C22H27NO5/c1-4-27-22(3,28-5-2)20(24)16-19(17-12-8-6-9-13-17)21(23(25)26)18-14-10-7-11-15-18/h6-15,19,21H,4-5,16H2,1-3H3/t19-,21-/m1/s1