methyl-tris(3-sulfophenyl)azanium hydroxide

Systemtic Name: methyl-tris(3-sulfophenyl)azanium hydroxide Openeye Name: methyl-tris(3-sulfophenyl)ammonium hydroxide CAS Name: methyl-tris(3-sulfophenyl)ammonium hydroxide IUPAC Name: methyl-tris(3-sulfophenyl)azanium hydroxide Traditional Name: methyl-tris(3-sulfophenyl)ammonium hydroxide Formula: C19H19NO10S3 MolecularWeight: 517.54986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO9S3.H2O/c1-20(14-5-2-8-17(11-14)30(21,22)23,15-6-3-9-18(12-15)31(24,25)26)16-7-4-10-19(13-16)32(27,28)29;/h2-13H,1H3,(H2-,21,22,23,24,25,26,27,28,29);1H2