trisodium (6Z)-4-azanyl-3-[[2,3-bis(chloranyl)phenyl]diazenyl]-5-oxidanylidene-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: trisodium (6Z)-4-azanyl-3-[[2,3-bis(chloranyl)phenyl]diazenyl]-5-oxidanylidene-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: trisodium (6Z)-4-amino-3-(2,3-dichlorophenyl)azo-5-oxo-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazono]naphthalene-2,7-disulfonate CAS Name: trisodium (6Z)-4-amino-3-(2,3-dichlorophenyl)azo-5-oxo-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: trisodium (6Z)-4-amino-3-[(2,3-dichlorophenyl)diazenyl]-5-oxo-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: trisodium (6Z)-4-amino-3-(2,3-dichlorophenyl)azo-5-keto-6-[[4-(2-sulfatoethylsulfonyl)phenyl]hydrazono]naphthalene-2,7-disulfonate Formula: C24H16Cl2N5Na3O13S4 MolecularWeight: 850.54485

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)Cl)N=NC2=C(C=C3C=C(C(=NNC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])C(=O)C3=C2N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)Cl)N=NC2=C(C=C3C=C(/C(=N\NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])/C(=O)C3=C2N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C24H19Cl2N5O13S4.3Na/c25-15-2-1-3-16(20(15)26)29-30-22-17(46(35,36)37)10-12-11-18(47(38,39)40)23(24(32)19(12)21(22)27)31-28-13-4-6-14(7-5-13)45(33,34)9-8-44-48(41,42)43;;;/h1-7,10-11,28H,8-9,27H2,(H,35,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3/b30-29?,31-23+;;;