tetrasodium 7-[[4-[[4-(sulfonatomethylamino)phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3,5-trisulfonate

Systemtic Name: tetrasodium 7-[[4-[[4-(sulfonatomethylamino)phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3,5-trisulfonate Openeye Name: tetrasodium 7-[4-[4-(sulfonatomethylamino)phenyl]azophenyl]azonaphthalene-1,3,5-trisulfonate CAS Name: tetrasodium 7-[4-[4-(sulfonatomethylamino)phenyl]azophenyl]azonaphthalene-1,3,5-trisulfonate IUPAC Name: tetrasodium 7-[[4-[[4-(sulfonatomethylamino)phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3,5-trisulfonate Traditional Name: tetrasodium 7-[4-[4-(sulfonatomethylamino)phenyl]azophenyl]azonaphthalene-1,3,5-trisulfonate Formula: C23H15N5Na4O12S4 MolecularWeight: 773.61058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCS(=O)(=O)[O-])N=NC2=CC=C(C=C2)N=NC3=CC(=C4C=C(C=C(C4=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NCS(=O)(=O)[O-])N=NC2=CC=C(C=C2)N=NC3=CC(=C4C=C(C=C(C4=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C23H19N5O12S4.4Na/c29-41(30,31)13-24-14-1-3-15(4-2-14)25-26-16-5-7-17(8-6-16)27-28-18-9-20-21(22(10-18)43(35,36)37)11-19(42(32,33)34)12-23(20)44(38,39)40;;;;/h1-12,24H,13H2,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;;/q;4*+1/p-4