disodium (6Z)-4-[(4-chloranyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-6-[(2-methylphenyl)hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium (6Z)-4-[(4-chloranyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-6-[(2-methylphenyl)hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium (6Z)-4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-6-(o-tolylhydrazono)-7-oxidoperoxysulfanyl-5-oxo-naphthalene-2-sulfonate CAS Name: disodium (6Z)-4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-6-[(2-methylphenyl)hydrazinylidene]-7-(oxidodioxythio)-5-oxo-2-naphthalenesulfonate IUPAC Name: disodium (6Z)-4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-6-[(2-methylphenyl)hydrazinylidene]-7-oxidoperoxysulfanyl-5-oxonaphthalene-2-sulfonate Traditional Name: disodium (6Z)-4-[(4-anilino-6-chloro-s-triazin-2-yl)amino]-5-keto-6-(o-tolylhydrazono)-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C26H18ClN7Na2O7S2 MolecularWeight: 686.02636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NN=C2C(=CC3=CC(=CC(=C3C2=O)NC4=NC(=NC(=N4)NC5=CC=CC=C5)Cl)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC=CC=C1N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)NC4=NC(=NC(=N4)NC5=CC=CC=C5)Cl)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C26H20ClN7O7S2.2Na/c1-14-7-5-6-10-18(14)33-34-22-20(42-41-40-36)12-15-11-17(43(37,38)39)13-19(21(15)23(22)35)29-26-31-24(27)30-25(32-26)28-16-8-3-2-4-9-16;;/h2-13,33,36H,1H3,(H,37,38,39)(H2,28,29,30,31,32);;/q;2*+1/p-2/b34-22+;;