6-[[bis(6-sulfohexyl)phosphanylmethyl-phenyl-amino]methyl-(6-sulfohexyl)phosphanyl]hexane-1-sulfonic acid

Systemtic Name: 6-[[bis(6-sulfohexyl)phosphanylmethyl-phenyl-amino]methyl-(6-sulfohexyl)phosphanyl]hexane-1-sulfonic acid Openeye Name: 6-[[N-[bis(6-sulfohexyl)phosphanylmethyl]anilino]methyl-(6-sulfohexyl)phosphanyl]hexane-1-sulfonic acid CAS Name: 6-[[N-[bis(6-sulfohexyl)phosphinomethyl]anilino]methyl-(6-sulfohexyl)phosphino]-1-hexanesulfonic acid IUPAC Name: 6-[[N-[bis(6-sulfohexyl)phosphanylmethyl]anilino]methyl-(6-sulfohexyl)phosphanyl]hexane-1-sulfonic acid Traditional Name: 6-[[N-[bis(6-sulfohexyl)phosphinomethyl]anilino]methyl-(6-sulfohexyl)phosphino]hexane-1-sulfonic acid Formula: C32H61NO12P2S4 MolecularWeight: 842.033762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CP(CCCCCCS(=O)(=O)O)CCCCCCS(=O)(=O)O)CP(CCCCCCS(=O)(=O)O)CCCCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(CP(CCCCCCS(=O)(=O)O)CCCCCCS(=O)(=O)O)CP(CCCCCCS(=O)(=O)O)CCCCCCS(=O)(=O)O

InChI

InChI=1S/C32H61NO12P2S4/c34-48(35,36)26-16-5-1-12-22-46(23-13-2-6-17-27-49(37,38)39)30-33(32-20-10-9-11-21-32)31-47(24-14-3-7-18-28-50(40,41)42)25-15-4-8-19-29-51(43,44)45/h9-11,20-21H,1-8,12-19,22-31H2,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)