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

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 4-[(4-cyclopropyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)methyl]-2-methylsulfonyloxy-benzoate Openeye Name: (3-oxocyclohexen-1-yl) 4-[(4-cyclopropyl-5-oxo-tetrazol-1-yl)methyl]-2-methylsulfonyloxy-benzoate CAS Name: 4-[(4-cyclopropyl-5-oxo-1-tetrazolyl)methyl]-2-methylsulfonyloxybenzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 4-[(4-cyclopropyl-5-oxotetrazol-1-yl)methyl]-2-methylsulfonyloxybenzoate Traditional Name: 4-[(4-cyclopropyl-5-keto-tetrazol-1-yl)methyl]-2-methylsulfonyloxy-benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C19H20N4O7S MolecularWeight: 448.4497

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(C=CC(=C1)CN2C(=O)N(N=N2)C3CC3)C(=O)OC4=CC(=O)CCC4

Isomeric SMILES

CS(=O)(=O)OC1=C(C=CC(=C1)CN2C(=O)N(N=N2)C3CC3)C(=O)OC4=CC(=O)CCC4

InChI

InChI=1S/C19H20N4O7S/c1-31(27,28)30-17-9-12(11-22-19(26)23(21-20-22)13-6-7-13)5-8-16(17)18(25)29-15-4-2-3-14(24)10-15/h5,8-10,13H,2-4,6-7,11H2,1H3