4-methyl-3-[(4-oxidanyl-4-oxidanylidene-butyl)sulfonylamino]benzoic acid

Systemtic Name: 4-methyl-3-[(4-oxidanyl-4-oxidanylidene-butyl)sulfonylamino]benzoic acid Openeye Name: 3-[(4-hydroxy-4-oxo-butyl)sulfonylamino]-4-methyl-benzoic acid CAS Name: 3-[(4-hydroxy-4-oxobutyl)sulfonylamino]-4-methylbenzoic acid IUPAC Name: 3-[(4-hydroxy-4-oxobutyl)sulfonylamino]-4-methylbenzoic acid Traditional Name: 3-[(4-hydroxy-4-keto-butyl)sulfonylamino]-4-methyl-benzoic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)CCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)CCCC(=O)O

InChI

InChI=1S/C12H15NO6S/c1-8-4-5-9(12(16)17)7-10(8)13-20(18,19)6-2-3-11(14)15/h4-5,7,13H,2-3,6H2,1H3,(H,14,15)(H,16,17)