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

Systemtic Name: 5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 3-hydroxy-5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-cyclohex-2-en-1-one CAS Name: 3-hydroxy-5,5-dimethyl-2-[(4-nitrophenyl)thio]-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-5,5-dimethyl-2-(4-nitrophenyl)sulfanylcyclohex-2-en-1-one Traditional Name: 3-hydroxy-5,5-dimethyl-2-[(4-nitrophenyl)thio]cyclohex-2-en-1-one Formula: C14H15NO4S MolecularWeight: 293.3382

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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/C14H15NO4S/c1-14(2)7-11(16)13(12(17)8-14)20-10-5-3-9(4-6-10)15(18)19/h3-6,16H,7-8H2,1-2H3