trisodium (6Z)-4-azanyl-6-[(2-methoxy-5-methyl-phenyl)hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate

Systemtic Name: trisodium (6Z)-4-azanyl-6-[(2-methoxy-5-methyl-phenyl)hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate Openeye Name: trisodium (6Z)-4-amino-6-[(2-methoxy-5-methyl-phenyl)hydrazono]-7-oxidoperoxysulfanyl-5-oxo-3-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-naphthalene-2-sulfonate CAS Name: trisodium (6Z)-4-amino-6-[(2-methoxy-5-methylphenyl)hydrazinylidene]-7-(oxidodioxythio)-5-oxo-3-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-2-naphthalenesulfonate IUPAC Name: trisodium (6Z)-4-amino-6-[(2-methoxy-5-methylphenyl)hydrazinylidene]-7-oxidoperoxysulfanyl-5-oxo-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate Traditional Name: trisodium (6Z)-4-amino-5-keto-6-[(2-methoxy-5-methyl-phenyl)hydrazono]-7-(oxidoperoxythio)-3-[4-(2-sulfatoethylsulfonyl)phenyl]azo-naphthalene-2-sulfonate Formula: C26H22N5Na3O14S4 MolecularWeight: 825.70729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])SOO[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N/N=C/2\C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])SOO[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C26H25N5O14S4.3Na/c1-14-3-8-19(42-2)18(11-14)29-30-24-20(46-45-44-33)12-15-13-21(48(36,37)38)25(23(27)22(15)26(24)32)31-28-16-4-6-17(7-5-16)47(34,35)10-9-43-49(39,40)41;;;/h3-8,11-13,29,33H,9-10,27H2,1-2H3,(H,36,37,38)(H,39,40,41);;;/q;3*+1/p-3/b30-24+,31-28?;;;