trisodium (3Z)-5-acetamido-3-[[2-methoxy-5-methyl-4-[(4-nitro-2-sulfonato-phenyl)diazenyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: trisodium (3Z)-5-acetamido-3-[[2-methoxy-5-methyl-4-[(4-nitro-2-sulfonato-phenyl)diazenyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: trisodium (3Z)-5-acetamido-3-[[2-methoxy-5-methyl-4-(4-nitro-2-sulfonato-phenyl)azo-phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: trisodium (3Z)-5-acetamido-3-[[2-methoxy-5-methyl-4-(4-nitro-2-sulfonatophenyl)azophenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: trisodium (3Z)-5-acetamido-3-[[2-methoxy-5-methyl-4-[(4-nitro-2-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: trisodium (3Z)-5-acetamido-4-keto-3-[[2-methoxy-5-methyl-4-(4-nitro-2-sulfonato-phenyl)azo-phenyl]hydrazono]naphthalene-2,7-disulfonate Formula: C26H19N6Na3O14S3 MolecularWeight: 804.62517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])OC)NN=C3C(=CC4=CC(=CC(=C4C3=O)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])OC)N/N=C/3\C(=CC4=CC(=CC(=C4C3=O)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C26H22N6O14S3.3Na/c1-12-6-19(21(46-3)11-18(12)29-28-17-5-4-15(32(35)36)9-22(17)48(40,41)42)30-31-25-23(49(43,44)45)8-14-7-16(47(37,38)39)10-20(27-13(2)33)24(14)26(25)34;;;/h4-11,30H,1-3H3,(H,27,33)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3/b29-28?,31-25+;;;