3-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonyl]butanoic acid

Systemtic Name: 3-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonyl]butanoic acid Openeye Name: 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanoic acid CAS Name: 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanoic acid IUPAC Name: 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanoic acid Traditional Name: 3-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonyl]butyric acid Formula: C12H13NO6S MolecularWeight: 299.29972

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)N(C(=O)O2)C

Isomeric SMILES

CC(CC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)N(C(=O)O2)C

InChI

InChI=1S/C12H13NO6S/c1-7(5-11(14)15)20(17,18)8-3-4-9-10(6-8)19-12(16)13(9)2/h3-4,6-7H,5H2,1-2H3,(H,14,15)