(4,6,6-trimethyl-4-methylsulfanyl-3-oxidanylidene-cyclohexen-1-yl) 4-chloranyl-2-nitro-benzoate

Systemtic Name: (4,6,6-trimethyl-4-methylsulfanyl-3-oxidanylidene-cyclohexen-1-yl) 4-chloranyl-2-nitro-benzoate Openeye Name: (4,6,6-trimethyl-4-methylsulfanyl-3-oxo-cyclohexen-1-yl) 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [4,6,6-trimethyl-4-(methylthio)-3-oxo-1-cyclohexenyl] ester IUPAC Name: (4,6,6-trimethyl-4-methylsulfanyl-3-oxocyclohexen-1-yl) 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [3-keto-4,6,6-trimethyl-4-(methylthio)cyclohexen-1-yl] ester Formula: C17H18ClNO5S MolecularWeight: 383.84652

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(=O)C=C1OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])(C)SC)C

Isomeric SMILES

CC1(CC(C(=O)C=C1OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])(C)SC)C

InChI

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