4-methyl-2-[(2E)-2-[3-methyl-1-(2-methyl-5-sulfo-phenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-methyl-2-[(2E)-2-[3-methyl-1-(2-methyl-5-sulfo-phenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 4-methyl-2-[(2E)-2-[3-methyl-1-(2-methyl-5-sulfo-phenyl)-5-oxo-pyrazol-4-ylidene]hydrazino]benzenesulfonic acid CAS Name: 4-methyl-2-[(2E)-2-[3-methyl-1-(2-methyl-5-sulfophenyl)-5-oxo-4-pyrazolylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 4-methyl-2-[(2E)-2-[3-methyl-1-(2-methyl-5-sulfophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 2-[(N'E)-N'-[5-keto-3-methyl-1-(2-methyl-5-sulfo-phenyl)-2-pyrazolin-4-ylidene]hydrazino]-4-methyl-besylic acid Formula: C18H18N4O7S2 MolecularWeight: 466.48812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)NN=C2C(=NN(C2=O)C3=C(C=CC(=C3)S(=O)(=O)O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)N/N=C/2\C(=NN(C2=O)C3=C(C=CC(=C3)S(=O)(=O)O)C)C

InChI

InChI=1S/C18H18N4O7S2/c1-10-4-7-16(31(27,28)29)14(8-10)19-20-17-12(3)21-22(18(17)23)15-9-13(30(24,25)26)6-5-11(15)2/h4-9,19H,1-3H3,(H,24,25,26)(H,27,28,29)/b20-17+