2-[(3-azanyl-2-methyl-5-sulfo-phenyl)amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[(3-azanyl-2-methyl-5-sulfo-phenyl)amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-(3-amino-2-methyl-5-sulfo-anilino)-2-oxo-acetic acid CAS Name: 2-(3-amino-2-methyl-5-sulfoanilino)-2-oxoacetic acid IUPAC Name: 2-(3-amino-2-methyl-5-sulfoanilino)-2-oxoacetic acid Traditional Name: 2-(3-amino-2-methyl-5-sulfo-anilino)-2-keto-acetic acid Formula: C9H10N2O6S MolecularWeight: 274.2505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N)S(=O)(=O)O)NC(=O)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1N)S(=O)(=O)O)NC(=O)C(=O)O

InChI

InChI=1S/C9H10N2O6S/c1-4-6(10)2-5(18(15,16)17)3-7(4)11-8(12)9(13)14/h2-3H,10H2,1H3,(H,11,12)(H,13,14)(H,15,16,17)