4-[(4Z)-4-[[2-methoxy-5-methyl-4-(2-sulfoethylsulfonyl)phenyl]hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4Z)-4-[[2-methoxy-5-methyl-4-(2-sulfoethylsulfonyl)phenyl]hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4Z)-4-[[2-methoxy-5-methyl-4-(2-sulfoethylsulfonyl)phenyl]hydrazono]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4Z)-4-[[2-methoxy-5-methyl-4-(2-sulfoethylsulfonyl)phenyl]hydrazinylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4Z)-4-[[2-methoxy-5-methyl-4-(2-sulfoethylsulfonyl)phenyl]hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4Z)-5-keto-4-[[2-methoxy-5-methyl-4-(2-sulfoethylsulfonyl)phenyl]hydrazono]-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C20H22N4O10S3 MolecularWeight: 574.60448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)CCS(=O)(=O)O)OC)NN=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)CCS(=O)(=O)O)OC)N/N=C\2/C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C

InChI

InChI=1S/C20H22N4O10S3/c1-12-10-16(17(34-3)11-18(12)35(26,27)8-9-36(28,29)30)21-22-19-13(2)23-24(20(19)25)14-4-6-15(7-5-14)37(31,32)33/h4-7,10-11,21H,8-9H2,1-3H3,(H,28,29,30)(H,31,32,33)/b22-19-