3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; trioctadecylazanium

Systemtic Name: 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; trioctadecylazanium Openeye Name: 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; trioctadecylammonium CAS Name: 3-bis(3-sulfonatophenyl)phosphinobenzenesulfonate; trioctadecylammonium IUPAC Name: 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; trioctadecylazanium Traditional Name: 3-bis(3-sulfonatophenyl)phosphinobesylate; tristearylammonium Formula: C180H348N3O9PS3 MolecularWeight: 2825.872581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH+](CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC[NH+](CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC[NH+](CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.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

CCCCCCCCCCCCCCCCCC[NH+](CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC[NH+](CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC[NH+](CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.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/3C54H111N.C18H15O9PS3/c3*1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55(53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;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/h3*4-54H2,1-3H3;1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27)