3-[3-bis(3-sulfonatophenyl)phosphanylpropyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate; dioctadecylazanium

Systemtic Name: 3-[3-bis(3-sulfonatophenyl)phosphanylpropyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate; dioctadecylazanium Openeye Name: 3-[3-bis(3-sulfonatophenyl)phosphanylpropyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate; dioctadecylammonium CAS Name: 3-[3-bis(3-sulfonatophenyl)phosphinopropyl-(3-sulfonatophenyl)phosphino]benzenesulfonate; dioctadecylammonium IUPAC Name: 3-[3-bis(3-sulfonatophenyl)phosphanylpropyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate; dioctadecylazanium Traditional Name: 3-[3-bis(3-sulfonatophenyl)phosphinopropyl-(3-sulfonatophenyl)phosphino]besylate; distearylammonium Formula: C171H326N4O12P2S4 MolecularWeight: 2820.645262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH2+]CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC[NH2+]CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC[NH2+]CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC[NH2+]CCCCCCCCCCCCCCCCCC.C1=CC(=CC(=C1)S(=O)(=O)[O-])P(CCCP(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-])C4=CC(=CC=C4)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH2+]CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC[NH2+]CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC[NH2+]CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC[NH2+]CCCCCCCCCCCCCCCCCC.C1=CC(=CC(=C1)S(=O)(=O)[O-])P(CCCP(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-])C4=CC(=CC=C4)S(=O)(=O)[O-]

InChI

InChI=1S/4C36H75N.C27H26O12P2S4/c4*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;28-42(29,30)24-10-1-6-20(16-24)40(21-7-2-11-25(17-21)43(31,32)33)14-5-15-41(22-8-3-12-26(18-22)44(34,35)36)23-9-4-13-27(19-23)45(37,38)39/h4*37H,3-36H2,1-2H3;1-4,6-13,16-19H,5,14-15H2,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)