3-[bis[[butyl(3-sulfopropyl)amino]methyl]phosphanylmethyl-butyl-amino]propane-1-sulfonic acid

Systemtic Name: 3-[bis[[butyl(3-sulfopropyl)amino]methyl]phosphanylmethyl-butyl-amino]propane-1-sulfonic acid Openeye Name: 3-[bis[[butyl(3-sulfopropyl)amino]methyl]phosphanylmethyl-butyl-amino]propane-1-sulfonic acid CAS Name: 3-[bis[[butyl(3-sulfopropyl)amino]methyl]phosphinomethyl-butylamino]-1-propanesulfonic acid IUPAC Name: 3-[bis[[butyl(3-sulfopropyl)amino]methyl]phosphanylmethyl-butylamino]propane-1-sulfonic acid Traditional Name: 3-[bis[[butyl(3-sulfopropyl)amino]methyl]phosphinomethyl-butyl-amino]propane-1-sulfonic acid Formula: C24H54N3O9PS3 MolecularWeight: 655.869021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCS(=O)(=O)O)CP(CN(CCCC)CCCS(=O)(=O)O)CN(CCCC)CCCS(=O)(=O)O

Isomeric SMILES

CCCCN(CCCS(=O)(=O)O)CP(CN(CCCC)CCCS(=O)(=O)O)CN(CCCC)CCCS(=O)(=O)O

InChI

InChI=1S/C24H54N3O9PS3/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)