trisodium 3-[bis[[butyl(3-sulfonatopropyl)amino]methyl]phosphanylmethyl-butyl-amino]propane-1-sulfonate

Systemtic Name: trisodium 3-[bis[[butyl(3-sulfonatopropyl)amino]methyl]phosphanylmethyl-butyl-amino]propane-1-sulfonate Openeye Name: trisodium 3-[bis[[butyl(3-sulfonatopropyl)amino]methyl]phosphanylmethyl-butyl-amino]propane-1-sulfonate CAS Name: trisodium 3-[bis[[butyl(3-sulfonatopropyl)amino]methyl]phosphinomethyl-butylamino]-1-propanesulfonate IUPAC Name: trisodium 3-[bis[[butyl(3-sulfonatopropyl)amino]methyl]phosphanylmethyl-butylamino]propane-1-sulfonate Traditional Name: trisodium 3-[bis[[butyl(3-sulfonatopropyl)amino]methyl]phosphinomethyl-butyl-amino]propane-1-sulfonate Formula: C24H51N3Na3O9PS3 MolecularWeight: 721.814511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCS(=O)(=O)[O-])CP(CN(CCCC)CCCS(=O)(=O)[O-])CN(CCCC)CCCS(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCN(CCCS(=O)(=O)[O-])CP(CN(CCCC)CCCS(=O)(=O)[O-])CN(CCCC)CCCS(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C24H54N3O9PS3.3Na/c1-4-7-13-25(16-10-19-38(28,29)30)22-37(23-26(14-8-5-2)17-11-20-39(31,32)33)24-27(15-9-6-3)18-12-21-40(34,35)36;;;/h4-24H2,1-3H3,(H,28,29,30)(H,31,32,33)(H,34,35,36);;;/q;3*+1/p-3