tetrasodium (5Z)-6-oxidanylidene-5-[[4-[(3-phosphonatophenyl)diazenyl]-2-sulfonato-phenyl]hydrazinylidene]-4-sulfo-naphthalene-2-sulfonate

Systemtic Name: tetrasodium (5Z)-6-oxidanylidene-5-[[4-[(3-phosphonatophenyl)diazenyl]-2-sulfonato-phenyl]hydrazinylidene]-4-sulfo-naphthalene-2-sulfonate Openeye Name: tetrasodium (5Z)-6-oxo-5-[[4-(3-phosphonatophenyl)azo-2-sulfonato-phenyl]hydrazono]-4-sulfo-naphthalene-2-sulfonate CAS Name: tetrasodium (5Z)-6-oxo-5-[[4-(3-phosphonatophenyl)azo-2-sulfonatophenyl]hydrazinylidene]-4-sulfo-2-naphthalenesulfonate IUPAC Name: tetrasodium (5Z)-6-oxo-5-[[4-[(3-phosphonatophenyl)diazenyl]-2-sulfonatophenyl]hydrazinylidene]-4-sulfonaphthalene-2-sulfonate Traditional Name: tetrasodium (5Z)-6-keto-5-[[4-(3-phosphonatophenyl)azo-2-sulfonato-phenyl]hydrazono]-4-sulfo-naphthalene-2-sulfonate Formula: C22H13N4Na4O13PS3 MolecularWeight: 760.485461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)P(=O)([O-])[O-])N=NC2=CC(=C(C=C2)NN=C3C(=O)C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)P(=O)([O-])[O-])N=NC2=CC(=C(C=C2)N/N=C/3\C(=O)C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H17N4O13PS3.4Na/c27-18-7-4-12-8-16(41(31,32)33)11-20(43(37,38)39)21(12)22(18)26-25-17-6-5-14(10-19(17)42(34,35)36)24-23-13-2-1-3-15(9-13)40(28,29)30;;;;/h1-11,25H,(H2,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;;/q;4*+1/p-4/b24-23?,26-22+;;;;