tetrasodium; 3-[[4-[[4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methyl-phenyl]carbamoylamino]-2-methyl-phenyl]diazenyl]naphthalene-1,5-disulfonate; 2-(2-hydroxyethylamino)ethanol

Systemtic Name: tetrasodium; 3-[[4-[[4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methyl-phenyl]carbamoylamino]-2-methyl-phenyl]diazenyl]naphthalene-1,5-disulfonate; 2-(2-hydroxyethylamino)ethanol Openeye Name: tetrasodium; 3-[4-[[4-[(4,8-disulfonato-2-naphthyl)azo]-3-methyl-phenyl]carbamoylamino]-2-methyl-phenyl]azonaphthalene-1,5-disulfonate; 2-(2-hydroxyethylamino)ethanol CAS Name: tetrasodium; 3-[4-[[[4-[(4,8-disulfonato-2-naphthalenyl)azo]-3-methylanilino]-oxomethyl]amino]-2-methylphenyl]azonaphthalene-1,5-disulfonate; 2-(2-hydroxyethylamino)ethanol IUPAC Name: tetrasodium; 3-[[4-[[4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]carbamoylamino]-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonate; 2-(2-hydroxyethylamino)ethanol Traditional Name: tetrasodium; 3-[4-[[4-[(4,8-disulfonato-2-naphthyl)azo]-3-methyl-phenyl]carbamoylamino]-2-methyl-phenyl]azonaphthalene-1,5-disulfonate; 2-(2-hydroxyethylamino)ethanol Formula: C39H35N7Na4O15S4 MolecularWeight: 1061.95218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)NC2=CC(=C(C=C2)N=NC3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC5=CC(=C6C=CC=C(C6=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=CC(=C4C=CC=C(C4=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC5=CC(=C6C=CC=C(C6=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].C(CO)NCCO.[Na+].[Na+].[Na+].[Na+]

InChI

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