3-(2-oxidanylidene-6-sulfo-1,3-benzoxazol-3-yl)propanoic acid

Systemtic Name: 3-(2-oxidanylidene-6-sulfo-1,3-benzoxazol-3-yl)propanoic acid Openeye Name: 3-(2-oxo-6-sulfo-1,3-benzoxazol-3-yl)propanoic acid CAS Name: 3-(2-oxo-6-sulfo-1,3-benzoxazol-3-yl)propanoic acid IUPAC Name: 3-(2-oxo-6-sulfo-1,3-benzoxazol-3-yl)propanoic acid Traditional Name: 3-(2-keto-6-sulfo-1,3-benzoxazol-3-yl)propionic acid Formula: C10H9NO7S MolecularWeight: 287.24596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)OC(=O)N2CCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)OC(=O)N2CCC(=O)O

InChI

InChI=1S/C10H9NO7S/c12-9(13)3-4-11-7-2-1-6(19(15,16)17)5-8(7)18-10(11)14/h1-2,5H,3-4H2,(H,12,13)(H,15,16,17)