2-(3-methyl-2-oxidanyl-4-oxidanylidene-6-sulfo-quinolin-1-yl)ethanoic acid

Systemtic Name: 2-(3-methyl-2-oxidanyl-4-oxidanylidene-6-sulfo-quinolin-1-yl)ethanoic acid Openeye Name: 2-(2-hydroxy-3-methyl-4-oxo-6-sulfo-1-quinolyl)acetic acid CAS Name: 2-(2-hydroxy-3-methyl-4-oxo-6-sulfo-1-quinolinyl)acetic acid IUPAC Name: 2-(2-hydroxy-3-methyl-4-oxo-6-sulfoquinolin-1-yl)acetic acid Traditional Name: 2-(2-hydroxy-4-keto-3-methyl-6-sulfo-1-quinolyl)acetic acid Formula: C12H11NO7S MolecularWeight: 313.28324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C(C1=O)C=C(C=C2)S(=O)(=O)O)CC(=O)O)O

Isomeric SMILES

CC1=C(N(C2=C(C1=O)C=C(C=C2)S(=O)(=O)O)CC(=O)O)O

InChI

InChI=1S/C12H11NO7S/c1-6-11(16)8-4-7(21(18,19)20)2-3-9(8)13(12(6)17)5-10(14)15/h2-4,17H,5H2,1H3,(H,14,15)(H,18,19,20)