4-[(4E)-5-azanylidene-4-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-3-methyl-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4E)-5-azanylidene-4-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-3-methyl-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4E)-5-imino-4-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]hydrazono]-3-methyl-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4E)-5-imino-4-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-3-methyl-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4E)-5-imino-4-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-3-methylpyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4E)-5-imino-4-[[2-methoxy-5-(2-sulfoxyethylsulfonyl)phenyl]hydrazono]-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C19H21N5O10S3 MolecularWeight: 575.59254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O10S3/c1-12-18(19(20)24(23-12)13-3-5-14(6-4-13)36(27,28)29)22-21-16-11-15(7-8-17(16)33-2)35(25,26)10-9-34-37(30,31)32/h3-8,11,20-21H,9-10H2,1-2H3,(H,27,28,29)(H,30,31,32)/b20-19?,22-18+