tetrasodium 4-[[4-[[4-[(3,6-disulfonatonaphthalen-1-yl)diazenyl]-2,6-dimethoxy-3-methyl-phenyl]carbamoylamino]-3,5-dimethoxy-2-methyl-phenyl]diazenyl]naphthalene-2,7-disulfonate

Systemtic Name: tetrasodium 4-[[4-[[4-[(3,6-disulfonatonaphthalen-1-yl)diazenyl]-2,6-dimethoxy-3-methyl-phenyl]carbamoylamino]-3,5-dimethoxy-2-methyl-phenyl]diazenyl]naphthalene-2,7-disulfonate Openeye Name: tetrasodium 4-[4-[[4-[(3,6-disulfonato-1-naphthyl)azo]-2,6-dimethoxy-3-methyl-phenyl]carbamoylamino]-3,5-dimethoxy-2-methyl-phenyl]azonaphthalene-2,7-disulfonate CAS Name: tetrasodium 4-[4-[[[4-[(3,6-disulfonato-1-naphthalenyl)azo]-2,6-dimethoxy-3-methylanilino]-oxomethyl]amino]-3,5-dimethoxy-2-methylphenyl]azonaphthalene-2,7-disulfonate IUPAC Name: tetrasodium 4-[[4-[[4-[(3,6-disulfonatonaphthalen-1-yl)diazenyl]-2,6-dimethoxy-3-methylphenyl]carbamoylamino]-3,5-dimethoxy-2-methylphenyl]diazenyl]naphthalene-2,7-disulfonate Traditional Name: tetrasodium 4-[4-[[4-[(3,6-disulfonato-1-naphthyl)azo]-2,6-dimethoxy-3-methyl-phenyl]carbamoylamino]-3,5-dimethoxy-2-methyl-phenyl]azonaphthalene-2,7-disulfonate Formula: C39H32N6Na4O17S4 MolecularWeight: 1076.92046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1N=NC2=C3C=CC(=CC3=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NC(=O)NC4=C(C=C(C(=C4OC)C)N=NC5=C6C=CC(=CC6=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)OC.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=C(C(=C(C=C1N=NC2=C3C=CC(=CC3=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NC(=O)NC4=C(C=C(C(=C4OC)C)N=NC5=C6C=CC(=CC6=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)OC.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C39H36N6O17S4.4Na/c1-19-29(42-44-31-15-25(65(53,54)55)13-21-11-23(63(47,48)49)7-9-27(21)31)17-33(59-3)35(37(19)61-5)40-39(46)41-36-34(60-4)18-30(20(2)38(36)62-6)43-45-32-16-26(66(56,57)58)14-22-12-24(64(50,51)52)8-10-28(22)32;;;;/h7-18H,1-6H3,(H2,40,41,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;/q;4*+1/p-4