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

Systemtic Name: tetrasodium (6Z)-4-azanyl-3-[[4-[4-[[2,4-bis(azanyl)phenyl]diazenyl]-2-sulfonato-phenyl]-3-sulfonato-phenyl]diazenyl]-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate Openeye Name: tetrasodium (6Z)-4-amino-3-[4-[4-(2,4-diaminophenyl)azo-2-sulfonato-phenyl]-3-sulfonato-phenyl]azo-5-oxo-6-(phenylhydrazono)naphthalene-2,7-disulfonate CAS Name: tetrasodium (6Z)-4-amino-3-[4-[4-(2,4-diaminophenyl)azo-2-sulfonatophenyl]-3-sulfonatophenyl]azo-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate IUPAC Name: tetrasodium (6Z)-4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]-2-sulfonatophenyl]-3-sulfonatophenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate Traditional Name: tetrasodium (6Z)-4-amino-3-[4-[4-(2,4-diaminophenyl)azo-2-sulfonato-phenyl]-3-sulfonato-phenyl]azo-5-keto-6-(phenylhydrazono)naphthalene-2,7-disulfonate Formula: C34H23N9Na4O13S4 MolecularWeight: 985.818

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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)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+]

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)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/C34H27N9O13S4.4Na/c35-18-6-11-25(24(36)14-18)41-39-20-7-9-22(26(15-20)57(45,46)47)23-10-8-21(16-27(23)58(48,49)50)40-42-32-28(59(51,52)53)12-17-13-29(60(54,55)56)33(34(44)30(17)31(32)37)43-38-19-4-2-1-3-5-19;;;;/h1-16,38H,35-37H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4/b41-39?,42-40?,43-33+;;;;