(6Z)-4-[[4-chloranyl-6-[(5-sulfonaphthalen-1-yl)amino]-1,3,5-triazin-2-yl]amino]-5-oxidanylidene-6-[(2-sulfophenyl)hydrazinylidene]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: (6Z)-4-[[4-chloranyl-6-[(5-sulfonaphthalen-1-yl)amino]-1,3,5-triazin-2-yl]amino]-5-oxidanylidene-6-[(2-sulfophenyl)hydrazinylidene]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: (6Z)-4-[[4-chloro-6-[(5-sulfo-1-naphthyl)amino]-1,3,5-triazin-2-yl]amino]-5-oxo-6-[(2-sulfophenyl)hydrazono]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: (6Z)-4-[[4-chloro-6-[(5-sulfo-1-naphthalenyl)amino]-1,3,5-triazin-2-yl]amino]-5-oxo-6-[(2-sulfophenyl)hydrazinylidene]-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: (6Z)-4-[[4-chloro-6-[(5-sulfonaphthalen-1-yl)amino]-1,3,5-triazin-2-yl]amino]-5-oxo-6-[(2-sulfophenyl)hydrazinylidene]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: (6Z)-4-[[4-chloro-6-[(5-sulfo-1-naphthyl)amino]-s-triazin-2-yl]amino]-5-keto-6-[(2-sulfophenyl)hydrazono]-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C29H20ClN7O13S4 MolecularWeight: 838.2212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NN=C2C(=CC3=CC(=CC(=C3C2=O)NC4=NC(=NC(=N4)NC5=CC=CC6=C5C=CC=C6S(=O)(=O)O)Cl)S(=O)(=O)O)SOOO)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)NC4=NC(=NC(=N4)NC5=CC=CC6=C5C=CC=C6S(=O)(=O)O)Cl)S(=O)(=O)O)SOOO)S(=O)(=O)O

InChI

InChI=1S/C29H20ClN7O13S4/c30-27-33-28(31-18-8-3-6-17-16(18)5-4-10-22(17)53(43,44)45)35-29(34-27)32-20-13-15(52(40,41)42)11-14-12-21(51-50-49-39)25(26(38)24(14)20)37-36-19-7-1-2-9-23(19)54(46,47)48/h1-13,36,39H,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,31,32,33,34,35)/b37-25+