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

Systemtic Name: 5-[(2E)-2-[3-methyl-5-oxidanylidene-1-[4-[2-(trioxidanylsulfanyloxy)ethylsulfonyl]phenyl]pyrazol-4-ylidene]hydrazinyl]-2-[4-[(2Z)-2-[3-methyl-5-oxidanylidene-1-[4-[2-(trioxidanylsulfanyloxy)ethylsulfonyl]phenyl]pyrazol-4-ylidene]hydrazinyl]-2-sulfo-phenyl]benzenesulfonic acid Openeye Name: 5-[(2E)-2-[3-methyl-5-oxo-1-[4-[2-(trioxidanylsulfanyloxy)ethylsulfonyl]phenyl]pyrazol-4-ylidene]hydrazino]-2-[4-[(2Z)-2-[3-methyl-5-oxo-1-[4-[2-(trioxidanylsulfanyloxy)ethylsulfonyl]phenyl]pyrazol-4-ylidene]hydrazino]-2-sulfo-phenyl]benzenesulfonic acid CAS Name: 5-[(2E)-2-[3-methyl-5-oxo-1-[4-[2-(trioxidanylthio)oxyethylsulfonyl]phenyl]-4-pyrazolylidene]hydrazinyl]-2-[4-[(2Z)-2-[3-methyl-5-oxo-1-[4-[2-(trioxidanylthio)oxyethylsulfonyl]phenyl]-4-pyrazolylidene]hydrazinyl]-2-sulfophenyl]benzenesulfonic acid IUPAC Name: 5-[(2E)-2-[3-methyl-5-oxo-1-[4-[2-(trioxidanylsulfanyloxy)ethylsulfonyl]phenyl]pyrazol-4-ylidene]hydrazinyl]-2-[4-[(2Z)-2-[3-methyl-5-oxo-1-[4-[2-(trioxidanylsulfanyloxy)ethylsulfonyl]phenyl]pyrazol-4-ylidene]hydrazinyl]-2-sulfophenyl]benzenesulfonic acid Traditional Name: 5-[(N'E)-N'-[5-keto-3-methyl-1-[4-[2-(trioxidanylthio)oxyethylsulfonyl]phenyl]-2-pyrazolin-4-ylidene]hydrazino]-2-[4-[(N'Z)-N'-[5-keto-3-methyl-1-[4-[2-(trioxidanylthio)oxyethylsulfonyl]phenyl]-2-pyrazolin-4-ylidene]hydrazino]-2-sulfo-phenyl]besylic acid Formula: C36H34N8O20S6 MolecularWeight: 1091.08676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC(=C(C=C2)C3=C(C=C(C=C3)NN=C4C(=NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)CCOSOOO)C)S(=O)(=O)O)S(=O)(=O)O)C6=CC=C(C=C6)S(=O)(=O)CCOSOOO

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=CC(=C(C=C2)C3=C(C=C(C=C3)N/N=C\4/C(=NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)CCOSOOO)C)S(=O)(=O)O)S(=O)(=O)O)C6=CC=C(C=C6)S(=O)(=O)CCOSOOO

InChI

InChI=1S/C36H34N8O20S6/c1-21-33(35(45)43(41-21)25-5-9-27(10-6-25)67(49,50)17-15-59-65-63-61-47)39-37-23-3-13-29(31(19-23)69(53,54)55)30-14-4-24(20-32(30)70(56,57)58)38-40-34-22(2)42-44(36(34)46)26-7-11-28(12-8-26)68(51,52)18-16-60-66-64-62-48/h3-14,19-20,37-38,47-48H,15-18H2,1-2H3,(H,53,54,55)(H,56,57,58)/b39-33-,40-34+