2-methyl-4-methylsulfonyl-3-[(4-oxidanylidene-1,4-oxathian-4-ylidene)amino]benzoic acid

Systemtic Name: 2-methyl-4-methylsulfonyl-3-[(4-oxidanylidene-1,4-oxathian-4-ylidene)amino]benzoic acid Openeye Name: 2-methyl-4-methylsulfonyl-3-[(4-oxo-1,4-oxathian-4-ylidene)amino]benzoic acid CAS Name: 2-methyl-4-methylsulfonyl-3-[(4-oxo-1,4-oxathian-4-ylidene)amino]benzoic acid IUPAC Name: 2-methyl-4-methylsulfonyl-3-[(4-oxo-1,4-oxathian-4-ylidene)amino]benzoic acid Traditional Name: 3-[(4-keto-1,4-oxathian-4-ylidene)amino]-4-mesyl-2-methyl-benzoic acid Formula: C13H17NO6S2 MolecularWeight: 347.40718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1N=S2(=O)CCOCC2)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1N=S2(=O)CCOCC2)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C13H17NO6S2/c1-9-10(13(15)16)3-4-11(21(2,17)18)12(9)14-22(19)7-5-20-6-8-22/h3-4H,5-8H2,1-2H3,(H,15,16)