(2E)-1,4-dimethyl-4-nitro-2-(phenylmethylidene)-6-(phenylsulfonyl)cyclohexan-1-ol

Systemtic Name: (2E)-1,4-dimethyl-4-nitro-2-(phenylmethylidene)-6-(phenylsulfonyl)cyclohexan-1-ol Openeye Name: (6E)-2-(benzenesulfonyl)-6-benzylidene-1,4-dimethyl-4-nitro-cyclohexanol CAS Name: (6E)-2-(benzenesulfonyl)-1,4-dimethyl-4-nitro-6-(phenylmethylene)-1-cyclohexanol IUPAC Name: (6E)-2-(benzenesulfonyl)-6-benzylidene-1,4-dimethyl-4-nitrocyclohexan-1-ol Traditional Name: (2E)-2-benzal-6-besyl-1,4-dimethyl-4-nitro-cyclohexanol Formula: C21H23NO5S MolecularWeight: 401.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(C(=CC2=CC=CC=C2)C1)(C)O)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1(CC(C(/C(=C/C2=CC=CC=C2)/C1)(C)O)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23NO5S/c1-20(22(24)25)14-17(13-16-9-5-3-6-10-16)21(2,23)19(15-20)28(26,27)18-11-7-4-8-12-18/h3-13,19,23H,14-15H2,1-2H3/b17-13+