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

Systemtic Name: tetrasodium 7-[[4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]naphthalene-1,3-disulfonate Openeye Name: tetrasodium 7-[4-[[4-[(6,8-disulfonato-2-naphthyl)azo]phenyl]carbamoylamino]phenyl]azonaphthalene-1,3-disulfonate CAS Name: tetrasodium 7-[4-[[[4-[(6,8-disulfonato-2-naphthalenyl)azo]anilino]-oxomethyl]amino]phenyl]azonaphthalene-1,3-disulfonate IUPAC Name: tetrasodium 7-[[4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]naphthalene-1,3-disulfonate Traditional Name: tetrasodium 7-[4-[[4-[(6,8-disulfonato-2-naphthyl)azo]phenyl]carbamoylamino]phenyl]azonaphthalene-1,3-disulfonate Formula: C33H20N6Na4O13S4 MolecularWeight: 928.76338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C33H24N6O13S4.4Na/c40-33(34-21-5-9-23(10-6-21)36-38-25-3-1-19-13-27(53(41,42)43)17-31(29(19)15-25)55(47,48)49)35-22-7-11-24(12-8-22)37-39-26-4-2-20-14-28(54(44,45)46)18-32(30(20)16-26)56(50,51)52;;;;/h1-18H,(H2,34,35,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4