4-methyl-5-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzene-1,2-disulfonic acid

Systemtic Name: 4-methyl-5-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzene-1,2-disulfonic acid Openeye Name: 4-methyl-5-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzene-1,2-disulfonic acid CAS Name: 4-methyl-5-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzene-1,2-disulfonic acid IUPAC Name: 4-methyl-5-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzene-1,2-disulfonic acid Traditional Name: 4-(5-keto-3-methyl-3-pyrazolin-1-yl)-5-methyl-benzene-1,2-disulfonic acid Formula: C11H12N2O7S2 MolecularWeight: 348.35218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N2C(=O)C=C(N2)C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1N2C(=O)C=C(N2)C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C11H12N2O7S2/c1-6-3-9(21(15,16)17)10(22(18,19)20)5-8(6)13-11(14)4-7(2)12-13/h3-5,12H,1-2H3,(H,15,16,17)(H,18,19,20)