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

Systemtic Name: 4-chloranyl-5-methyl-2-[(2E)-2-[3-methyl-5-oxidanylidene-1-(3-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 4-chloro-5-methyl-2-[(2E)-2-[3-methyl-5-oxo-1-(3-sulfophenyl)pyrazol-4-ylidene]hydrazino]benzenesulfonic acid CAS Name: 4-chloro-5-methyl-2-[(2E)-2-[3-methyl-5-oxo-1-(3-sulfophenyl)-4-pyrazolylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 4-chloro-5-methyl-2-[(2E)-2-[3-methyl-5-oxo-1-(3-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 4-chloro-2-[(N'E)-N'-[5-keto-3-methyl-1-(3-sulfophenyl)-2-pyrazolin-4-ylidene]hydrazino]-5-methyl-besylic acid Formula: C17H15ClN4O7S2 MolecularWeight: 486.9066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)NN=C2C(=NN(C2=O)C3=CC(=CC=C3)S(=O)(=O)O)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)N/N=C/2\C(=NN(C2=O)C3=CC(=CC=C3)S(=O)(=O)O)C)S(=O)(=O)O

InChI

InChI=1S/C17H15ClN4O7S2/c1-9-6-15(31(27,28)29)14(8-13(9)18)19-20-16-10(2)21-22(17(16)23)11-4-3-5-12(7-11)30(24,25)26/h3-8,19H,1-2H3,(H,24,25,26)(H,27,28,29)/b20-16+