(3-oxidanylidenecyclohexen-1-yl) 2-chloranyl-3-(4-methyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)-4-methylsulfonyl-benzoate

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 2-chloranyl-3-(4-methyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)-4-methylsulfonyl-benzoate Openeye Name: (3-oxocyclohexen-1-yl) 2-chloro-3-(4-methyl-5-oxo-tetrazol-1-yl)-4-methylsulfonyl-benzoate CAS Name: 2-chloro-3-(4-methyl-5-oxo-1-tetrazolyl)-4-methylsulfonylbenzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 2-chloro-3-(4-methyl-5-oxotetrazol-1-yl)-4-methylsulfonylbenzoate Traditional Name: 2-chloro-3-(5-keto-4-methyl-tetrazol-1-yl)-4-mesyl-benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C16H15ClN4O6S MolecularWeight: 426.8315

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(N=N1)C2=C(C=CC(=C2Cl)C(=O)OC3=CC(=O)CCC3)S(=O)(=O)C

Isomeric SMILES

CN1C(=O)N(N=N1)C2=C(C=CC(=C2Cl)C(=O)OC3=CC(=O)CCC3)S(=O)(=O)C

InChI

InChI=1S/C16H15ClN4O6S/c1-20-16(24)21(19-18-20)14-12(28(2,25)26)7-6-11(13(14)17)15(23)27-10-5-3-4-9(22)8-10/h6-8H,3-5H2,1-2H3