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

Systemtic Name: 3-[(4Z)-3-methyl-5-oxidanylidene-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]pyrazol-1-yl]benzenesulfonic acid Openeye Name: 3-[(4Z)-3-methyl-5-oxo-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazono]pyrazol-1-yl]benzenesulfonic acid CAS Name: 3-[(4Z)-3-methyl-5-oxo-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 3-[(4Z)-3-methyl-5-oxo-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]pyrazol-1-yl]benzenesulfonic acid Traditional Name: 3-[(4Z)-5-keto-3-methyl-4-[[4-(2-sulfoxyethylsulfonyl)phenyl]hydrazono]-2-pyrazolin-1-yl]besylic acid Formula: C18H18N4O10S3 MolecularWeight: 546.55132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=N\NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C18H18N4O10S3/c1-12-17(18(23)22(21-12)14-3-2-4-16(11-14)34(26,27)28)20-19-13-5-7-15(8-6-13)33(24,25)10-9-32-35(29,30)31/h2-8,11,19H,9-10H2,1H3,(H,26,27,28)(H,29,30,31)/b20-17-