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

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 2-chloranyl-3-[(4-cyclopropyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)methyl]-4-methylsulfonyl-benzoate Openeye Name: (3-oxocyclohexen-1-yl) 2-chloro-3-[(4-cyclopropyl-5-oxo-tetrazol-1-yl)methyl]-4-methylsulfonyl-benzoate CAS Name: 2-chloro-3-[(4-cyclopropyl-5-oxo-1-tetrazolyl)methyl]-4-methylsulfonylbenzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 2-chloro-3-[(4-cyclopropyl-5-oxotetrazol-1-yl)methyl]-4-methylsulfonylbenzoate Traditional Name: 2-chloro-3-[(4-cyclopropyl-5-keto-tetrazol-1-yl)methyl]-4-mesyl-benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C19H19ClN4O6S MolecularWeight: 466.89536

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)OC2=CC(=O)CCC2)Cl)CN3C(=O)N(N=N3)C4CC4

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)OC2=CC(=O)CCC2)Cl)CN3C(=O)N(N=N3)C4CC4

InChI

InChI=1S/C19H19ClN4O6S/c1-31(28,29)16-8-7-14(18(26)30-13-4-2-3-12(25)9-13)17(20)15(16)10-23-19(27)24(22-21-23)11-5-6-11/h7-9,11H,2-6,10H2,1H3