tetrasodium (6Z)-4-azanyl-3-[[4-[(E)-2-[4-[[2,4-bis(azanyl)phenyl]diazenyl]-2-sulfonato-phenyl]ethenyl]-3-sulfonato-phenyl]diazenyl]-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate

Systemtic Name: tetrasodium (6Z)-4-azanyl-3-[[4-[(E)-2-[4-[[2,4-bis(azanyl)phenyl]diazenyl]-2-sulfonato-phenyl]ethenyl]-3-sulfonato-phenyl]diazenyl]-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate Openeye Name: tetrasodium (6Z)-4-amino-3-[4-[(E)-2-[4-(2,4-diaminophenyl)azo-2-sulfonato-phenyl]vinyl]-3-sulfonato-phenyl]azo-5-oxo-6-(phenylhydrazono)naphthalene-2,7-disulfonate CAS Name: tetrasodium (6Z)-4-amino-3-[4-[(E)-2-[4-(2,4-diaminophenyl)azo-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]azo-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate IUPAC Name: tetrasodium (6Z)-4-amino-3-[[4-[(E)-2-[4-[(2,4-diaminophenyl)diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate Traditional Name: tetrasodium (6Z)-4-amino-3-[4-[(E)-2-[4-(2,4-diaminophenyl)azo-2-sulfonato-phenyl]vinyl]-3-sulfonato-phenyl]azo-5-keto-6-(phenylhydrazono)naphthalene-2,7-disulfonate Formula: C36H25N9Na4O13S4 MolecularWeight: 1011.85528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC(=C(C=C4)C=CC5=C(C=C(C=C5)N=NC6=C(C=C(C=C6)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N/N=C/2\C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC(=C(C=C4)/C=C/C5=C(C=C(C=C5)N=NC6=C(C=C(C=C6)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C36H29N9O13S4.4Na/c37-22-10-13-27(26(38)16-22)43-41-24-11-8-19(28(17-24)59(47,48)49)6-7-20-9-12-25(18-29(20)60(50,51)52)42-44-34-30(61(53,54)55)14-21-15-31(62(56,57)58)35(36(46)32(21)33(34)39)45-40-23-4-2-1-3-5-23;;;;/h1-18,40H,37-39H2,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;/q;4*+1/p-4/b7-6+,43-41?,44-42?,45-35+;;;;