3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid; carbon monoxide; rhodium

Systemtic Name: 3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid; carbon monoxide; rhodium Openeye Name: 3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid; carbon monoxide; rhodium CAS Name: 3-bis(3-sulfophenyl)phosphinobenzenesulfonic acid; carbon monoxide; rhodium IUPAC Name: 3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid; carbon monoxide; rhodium Traditional Name: 3-bis(3-sulfophenyl)phosphinobesylic acid; carbon monoxide; rhodium Formula: C55H45O28P3RhS9 MolecularWeight: 1638.340783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].C1=CC(=CC(=C1)S(=O)(=O)O)P(C2=CC(=CC=C2)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O.C1=CC(=CC(=C1)S(=O)(=O)O)P(C2=CC(=CC=C2)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O.C1=CC(=CC(=C1)S(=O)(=O)O)P(C2=CC(=CC=C2)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O.[Rh]

Isomeric SMILES

[C-]#[O+].C1=CC(=CC(=C1)S(=O)(=O)O)P(C2=CC(=CC=C2)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O.C1=CC(=CC(=C1)S(=O)(=O)O)P(C2=CC(=CC=C2)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O.C1=CC(=CC(=C1)S(=O)(=O)O)P(C2=CC(=CC=C2)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O.[Rh]

InChI

InChI=1S/3C18H15O9PS3.CO.Rh/c3*19-29(20,21)16-7-1-4-13(10-16)28(14-5-2-8-17(11-14)30(22,23)24)15-6-3-9-18(12-15)31(25,26)27;1-2;/h3*1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);;