3-chloranyl-6,6-dimethyl-2-(4-methylsulfonyl-2-nitro-phenyl)carbonyl-cyclohex-2-en-1-one

Systemtic Name: 3-chloranyl-6,6-dimethyl-2-(4-methylsulfonyl-2-nitro-phenyl)carbonyl-cyclohex-2-en-1-one Openeye Name: 3-chloro-6,6-dimethyl-2-(4-methylsulfonyl-2-nitro-benzoyl)cyclohex-2-en-1-one CAS Name: 3-chloro-6,6-dimethyl-2-[(4-methylsulfonyl-2-nitrophenyl)-oxomethyl]-1-cyclohex-2-enone IUPAC Name: 3-chloro-6,6-dimethyl-2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohex-2-en-1-one Traditional Name: 3-chloro-2-(4-mesyl-2-nitro-benzoyl)-6,6-dimethyl-cyclohex-2-en-1-one Formula: C16H16ClNO6S MolecularWeight: 385.81934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=C(C1=O)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1(CCC(=C(C1=O)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C16H16ClNO6S/c1-16(2)7-6-11(17)13(15(16)20)14(19)10-5-4-9(25(3,23)24)8-12(10)18(21)22/h4-5,8H,6-7H2,1-3H3