2-(4-chloranyl-2-nitro-phenyl)carbonyl-4,4,6-trimethyl-6-methylsulfanyl-cyclohexane-1,3-dione

Systemtic Name: 2-(4-chloranyl-2-nitro-phenyl)carbonyl-4,4,6-trimethyl-6-methylsulfanyl-cyclohexane-1,3-dione Openeye Name: 2-(4-chloro-2-nitro-benzoyl)-4,4,6-trimethyl-6-methylsulfanyl-cyclohexane-1,3-dione CAS Name: 2-[(4-chloro-2-nitrophenyl)-oxomethyl]-4,4,6-trimethyl-6-(methylthio)cyclohexane-1,3-dione IUPAC Name: 2-(4-chloro-2-nitrobenzoyl)-4,4,6-trimethyl-6-methylsulfanylcyclohexane-1,3-dione Traditional Name: 2-(4-chloro-2-nitro-benzoyl)-4,4,6-trimethyl-6-(methylthio)cyclohexane-1,3-quinone Formula: C17H18ClNO5S MolecularWeight: 383.84652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO5S/c1-16(2)8-17(3,25-4)15(22)12(14(16)21)13(20)10-6-5-9(18)7-11(10)19(23)24/h5-7,12H,8H2,1-4H3