5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxidanyl-cyclohexan-1-one

Systemtic Name: 5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxidanyl-cyclohexan-1-one Openeye Name: 3-hydroxy-5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-cyclohexanone CAS Name: 3-hydroxy-5,5-dimethyl-2-[(4-nitrophenyl)thio]-1-cyclohexanone IUPAC Name: 3-hydroxy-5,5-dimethyl-2-(4-nitrophenyl)sulfanylcyclohexan-1-one Traditional Name: 3-hydroxy-5,5-dimethyl-2-[(4-nitrophenyl)thio]cyclohexanone Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(C(=O)C1)SC2=CC=C(C=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CC1(CC(C(C(=O)C1)SC2=CC=C(C=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C14H17NO4S/c1-14(2)7-11(16)13(12(17)8-14)20-10-5-3-9(4-6-10)15(18)19/h3-6,11,13,16H,7-8H2,1-2H3