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

Systemtic Name: trisodium (3Z)-5-azanyl-6-[(4-chloranyl-2-cyano-phenyl)diazenyl]-7-oxidanidylperoxysulfanyl-4-oxidanylidene-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonate Openeye Name: trisodium (3Z)-5-amino-6-(4-chloro-2-cyano-phenyl)azo-7-oxidoperoxysulfanyl-4-oxo-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazono]naphthalene-2-sulfonate CAS Name: trisodium (3Z)-5-amino-6-(4-chloro-2-cyanophenyl)azo-7-(oxidodioxythio)-4-oxo-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: trisodium (3Z)-5-amino-6-[(4-chloro-2-cyanophenyl)diazenyl]-7-oxidoperoxysulfanyl-4-oxo-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonate Traditional Name: trisodium (3Z)-5-amino-6-(4-chloro-2-cyano-phenyl)azo-4-keto-7-(oxidoperoxythio)-3-[[4-(2-sulfatoethylsulfonyl)phenyl]hydrazono]naphthalene-2-sulfonate Formula: C25H16ClN6Na3O13S4 MolecularWeight: 841.10925

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=C(C=C(C=C4)Cl)C#N)SOO[O-])S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N/N=C/2\C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=C(C=C(C=C4)Cl)C#N)SOO[O-])S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C25H19ClN6O13S4.3Na/c26-15-1-6-18(14(9-15)12-27)30-31-23-19(46-45-44-34)10-13-11-20(48(37,38)39)24(25(33)21(13)22(23)28)32-29-16-2-4-17(5-3-16)47(35,36)8-7-43-49(40,41)42;;;/h1-6,9-11,29,34H,7-8,28H2,(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3/b31-30?,32-24+;;;