1-methyl-3-propyl-imidazol-1-ium; 4-[phenyl-(4-sulfonatophenyl)phosphanyl]benzenesulfonate

Systemtic Name: 1-methyl-3-propyl-imidazol-1-ium; 4-[phenyl-(4-sulfonatophenyl)phosphanyl]benzenesulfonate Openeye Name: 1-methyl-3-propyl-imidazol-1-ium; 4-[phenyl-(4-sulfonatophenyl)phosphanyl]benzenesulfonate CAS Name: 1-methyl-3-propylimidazol-1-ium; 4-[phenyl-(4-sulfonatophenyl)phosphino]benzenesulfonate IUPAC Name: 1-methyl-3-propylimidazol-1-ium; 4-[phenyl-(4-sulfonatophenyl)phosphanyl]benzenesulfonate Traditional Name: 1-methyl-3-propyl-imidazol-1-ium; 4-[phenyl-(4-sulfonatophenyl)phosphino]besylate Formula: C32H39N4O6PS2 MolecularWeight: 670.779021

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C[N+](=C1)C.CCCN1C=C[N+](=C1)C.C1=CC=C(C=C1)P(C2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-]

Isomeric SMILES

CCCN1C=C[N+](=C1)C.CCCN1C=C[N+](=C1)C.C1=CC=C(C=C1)P(C2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C18H15O6PS2.2C7H13N2/c19-26(20,21)17-10-6-15(7-11-17)25(14-4-2-1-3-5-14)16-8-12-18(13-9-16)27(22,23)24;2*1-3-4-9-6-5-8(2)7-9/h1-13H,(H,19,20,21)(H,22,23,24);2*5-7H,3-4H2,1-2H3/q;2*+1/p-2