[(Z)-[5,6-bis(chloranyl)-6-methyl-4-oxidanylidene-3-propan-2-yl-cyclohex-2-en-1-ylidene]amino] 3-nitrobenzenesulfonate

Systemtic Name: [(Z)-[5,6-bis(chloranyl)-6-methyl-4-oxidanylidene-3-propan-2-yl-cyclohex-2-en-1-ylidene]amino] 3-nitrobenzenesulfonate Openeye Name: [(Z)-(5,6-dichloro-3-isopropyl-6-methyl-4-oxo-cyclohex-2-en-1-ylidene)amino] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [(Z)-(5,6-dichloro-6-methyl-4-oxo-3-propan-2-yl-1-cyclohex-2-enylidene)amino] ester IUPAC Name: [(Z)-(5,6-dichloro-6-methyl-4-oxo-3-propan-2-ylcyclohex-2-en-1-ylidene)amino] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [(Z)-(5,6-dichloro-3-isopropyl-4-keto-6-methyl-cyclohex-2-en-1-ylidene)amino] ester Formula: C16H16Cl2N2O6S MolecularWeight: 435.27904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=C/C(=N/OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])/C(C(C1=O)Cl)(C)Cl

InChI

InChI=1S/C16H16Cl2N2O6S/c1-9(2)12-8-13(16(3,18)15(17)14(12)21)19-26-27(24,25)11-6-4-5-10(7-11)20(22)23/h4-9,15H,1-3H3/b19-13-