4-azanyl-2-[(3-methyl-5-oxidanylidene-pyrazol-4-yl)diazenyl]benzenesulfonic acid

Systemtic Name: 4-azanyl-2-[(3-methyl-5-oxidanylidene-pyrazol-4-yl)diazenyl]benzenesulfonic acid Openeye Name: 4-amino-2-(3-methyl-5-oxo-pyrazol-4-yl)azo-benzenesulfonic acid CAS Name: 4-amino-2-[(3-methyl-5-oxo-4-pyrazolyl)azo]benzenesulfonic acid IUPAC Name: 4-amino-2-[(3-methyl-5-oxopyrazol-4-yl)diazenyl]benzenesulfonic acid Traditional Name: 4-amino-2-(3-keto-5-methyl-pyrazol-4-yl)azo-besylic acid Formula: C10H9N5O4S MolecularWeight: 295.27456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=N1)N=NC2=C(C=CC(=C2)N)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=O)N=N1)N=NC2=C(C=CC(=C2)N)S(=O)(=O)O

InChI

InChI=1S/C10H9N5O4S/c1-5-9(10(16)15-12-5)14-13-7-4-6(11)2-3-8(7)20(17,18)19/h2-4H,11H2,1H3,(H,17,18,19)