tetrakis[(4-sulfophenyl)amino]phosphanium sulfite

Systemtic Name: tetrakis[(4-sulfophenyl)amino]phosphanium sulfite Openeye Name: tetrakis(4-sulfoanilino)phosphonium sulfite CAS Name: tetrakis(4-sulfoanilino)phosphonium sulfite IUPAC Name: tetrakis(4-sulfoanilino)phosphanium sulfite Traditional Name: tetrakis(4-sulfoanilino)phosphonium sulfite Formula: C24H24N4O15PS5- MolecularWeight: 799.763921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N[P+](NC2=CC=C(C=C2)S(=O)(=O)O)(NC3=CC=C(C=C3)S(=O)(=O)O)NC4=CC=C(C=C4)S(=O)(=O)O)S(=O)(=O)O.[O-]S(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N[P+](NC2=CC=C(C=C2)S(=O)(=O)O)(NC3=CC=C(C=C3)S(=O)(=O)O)NC4=CC=C(C=C4)S(=O)(=O)O)S(=O)(=O)O.[O-]S(=O)[O-]

InChI

InChI=1S/C24H23N4O12PS4.H2O3S/c29-42(30,31)21-9-1-17(2-10-21)25-41(26-18-3-11-22(12-4-18)43(32,33)34,27-19-5-13-23(14-6-19)44(35,36)37)28-20-7-15-24(16-8-20)45(38,39)40;1-4(2)3/h1-16,25-28H,(H3-,29,30,31,32,33,34,35,36,37,38,39,40);(H2,1,2,3)/p-1