(6Z)-4-[[4-chloranyl-6-[[4-sulfo-2-(trioxidanylsulfanyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-5-oxidanylidene-6-[(8-sulfonaphthalen-2-yl)hydrazinylidene]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: (6Z)-4-[[4-chloranyl-6-[[4-sulfo-2-(trioxidanylsulfanyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-5-oxidanylidene-6-[(8-sulfonaphthalen-2-yl)hydrazinylidene]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: (6Z)-4-[[4-chloro-6-[4-sulfo-2-(trioxidanylsulfanyl)anilino]-1,3,5-triazin-2-yl]amino]-5-oxo-6-[(8-sulfo-2-naphthyl)hydrazono]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: (6Z)-4-[[4-chloro-6-[4-sulfo-2-(trioxidanylthio)anilino]-1,3,5-triazin-2-yl]amino]-5-oxo-6-[(8-sulfo-2-naphthalenyl)hydrazinylidene]-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: (6Z)-4-[[4-chloro-6-[4-sulfo-2-(trioxidanylsulfanyl)anilino]-1,3,5-triazin-2-yl]amino]-5-oxo-6-[(8-sulfonaphthalen-2-yl)hydrazinylidene]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: (6Z)-4-[[4-chloro-6-[4-sulfo-2-(trioxidanylthio)anilino]-s-triazin-2-yl]amino]-5-keto-6-[(8-sulfo-2-naphthyl)hydrazono]-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C29H20ClN7O16S5 MolecularWeight: 918.2844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)NC5=NC(=NC(=N5)NC6=C(C=C(C=C6)S(=O)(=O)O)SOOO)Cl)S(=O)(=O)O)SOOO)C(=C1)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2)N/N=C/3\C(=CC4=CC(=CC(=C4C3=O)NC5=NC(=NC(=N5)NC6=C(C=C(C=C6)S(=O)(=O)O)SOOO)Cl)S(=O)(=O)O)SOOO)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C29H20ClN7O16S5/c30-27-33-28(31-19-7-6-16(56(41,42)43)12-21(19)54-52-50-39)35-29(34-27)32-20-11-17(57(44,45)46)8-14-9-22(55-53-51-40)25(26(38)24(14)20)37-36-15-5-4-13-2-1-3-23(18(13)10-15)58(47,48)49/h1-12,36,39-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,31,32,33,34,35)/b37-25+