5-azanyl-3-(5-carboxyoxy-3-oxidanylidene-1H-pyrazol-2-yl)-2-methyl-benzenesulfonic acid

Systemtic Name: 5-azanyl-3-(5-carboxyoxy-3-oxidanylidene-1H-pyrazol-2-yl)-2-methyl-benzenesulfonic acid Openeye Name: 5-amino-3-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)-2-methyl-benzenesulfonic acid CAS Name: 5-amino-3-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)-2-methylbenzenesulfonic acid IUPAC Name: 5-amino-3-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)-2-methylbenzenesulfonic acid Traditional Name: 5-amino-3-(3-carboxyoxy-5-keto-3-pyrazolin-1-yl)-2-methyl-besylic acid Formula: C11H11N3O7S MolecularWeight: 329.28594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N2C(=O)C=C(N2)OC(=O)O)N)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1N2C(=O)C=C(N2)OC(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C11H11N3O7S/c1-5-7(2-6(12)3-8(5)22(18,19)20)14-10(15)4-9(13-14)21-11(16)17/h2-4,13H,12H2,1H3,(H,16,17)(H,18,19,20)