tetrasodium; 7-[[4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methyl-phenyl]carbamoylamino]-2-methyl-phenyl]diazenyl]naphthalene-1,3-disulfonate; 2-(2-hydroxyethylamino)ethanol

Systemtic Name: tetrasodium; 7-[[4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methyl-phenyl]carbamoylamino]-2-methyl-phenyl]diazenyl]naphthalene-1,3-disulfonate; 2-(2-hydroxyethylamino)ethanol Openeye Name: tetrasodium; 7-[4-[[4-[(6,8-disulfonato-2-naphthyl)azo]-3-methyl-phenyl]carbamoylamino]-2-methyl-phenyl]azonaphthalene-1,3-disulfonate; 2-(2-hydroxyethylamino)ethanol CAS Name: tetrasodium; 7-[4-[[[4-[(6,8-disulfonato-2-naphthalenyl)azo]-3-methylanilino]-oxomethyl]amino]-2-methylphenyl]azonaphthalene-1,3-disulfonate; 2-(2-hydroxyethylamino)ethanol IUPAC Name: tetrasodium; 7-[[4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]carbamoylamino]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonate; 2-(2-hydroxyethylamino)ethanol Traditional Name: tetrasodium; 7-[4-[[4-[(6,8-disulfonato-2-naphthyl)azo]-3-methyl-phenyl]carbamoylamino]-2-methyl-phenyl]azonaphthalene-1,3-disulfonate; 2-(2-hydroxyethylamino)ethanol Formula: C39H35N7Na4O15S4 MolecularWeight: 1061.95218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)NC2=CC(=C(C=C2)N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].C(CO)NCCO.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)NC2=CC(=C(C=C2)N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].C(CO)NCCO.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C35H28N6O13S4.C4H11NO2.4Na/c1-19-11-23(7-9-31(19)40-38-25-5-3-21-13-27(55(43,44)45)17-33(29(21)15-25)57(49,50)51)36-35(42)37-24-8-10-32(20(2)12-24)41-39-26-6-4-22-14-28(56(46,47)48)18-34(30(22)16-26)58(52,53)54;6-3-1-5-2-4-7;;;;/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);5-7H,1-4H2;;;;/q;;4*+1/p-4