3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; 1-butyl-3-methyl-imidazol-3-ium

Systemtic Name: 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; 1-butyl-3-methyl-imidazol-3-ium Openeye Name: 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; 1-butyl-3-methyl-imidazol-3-ium CAS Name: 3-bis(3-sulfonatophenyl)phosphinobenzenesulfonate; 1-butyl-3-methylimidazol-3-ium IUPAC Name: 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; 1-butyl-3-methylimidazol-3-ium Traditional Name: 3-bis(3-sulfonatophenyl)phosphinobesylate; 1-butyl-3-methyl-imidazol-3-ium Formula: C42H57N6O9PS3 MolecularWeight: 917.105541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)C.CCCCN1C=C[N+](=C1)C.CCCCN1C=C[N+](=C1)C.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-]

Isomeric SMILES

CCCCN1C=C[N+](=C1)C.CCCCN1C=C[N+](=C1)C.CCCCN1C=C[N+](=C1)C.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-]

InChI

InChI=1S/C18H15O9PS3.3C8H15N2/c19-29(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;3*1-3-4-5-10-7-6-9(2)8-10/h1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);3*6-8H,3-5H2,1-2H3/q;3*+1/p-3