trisodium 3-[bis(phenylazanyl)phosphinothioyl-sulfonato-amino]benzene-1,2-disulfonate

Systemtic Name: trisodium 3-[bis(phenylazanyl)phosphinothioyl-sulfonato-amino]benzene-1,2-disulfonate Openeye Name: trisodium 3-[dianilinophosphinothioyl(sulfonato)amino]benzene-1,2-disulfonate CAS Name: trisodium 3-[dianilinophosphinothioyl(sulfonato)amino]benzene-1,2-disulfonate IUPAC Name: trisodium 3-[dianilinophosphinothioyl(sulfonato)amino]benzene-1,2-disulfonate Traditional Name: trisodium 3-[dianilinothiophosphoryl(sulfonato)amino]benzene-1,2-disulfonate Formula: C18H15N3Na3O9PS4 MolecularWeight: 645.529471

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NP(=S)(NC2=CC=CC=C2)N(C3=C(C(=CC=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NP(=S)(NC2=CC=CC=C2)N(C3=C(C(=CC=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H18N3O9PS4.3Na/c22-33(23,24)17-13-7-12-16(18(17)34(25,26)27)21(35(28,29)30)31(32,19-14-8-3-1-4-9-14)20-15-10-5-2-6-11-15;;;/h1-13H,(H2,19,20,32)(H,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;3*+1/p-3