7-[[bis(7-sulfoheptyl)phosphanylmethyl-phenyl-amino]methyl-(7-sulfoheptyl)phosphanyl]heptane-1-sulfonic acid

Systemtic Name: 7-[[bis(7-sulfoheptyl)phosphanylmethyl-phenyl-amino]methyl-(7-sulfoheptyl)phosphanyl]heptane-1-sulfonic acid Openeye Name: 7-[[N-[bis(7-sulfoheptyl)phosphanylmethyl]anilino]methyl-(7-sulfoheptyl)phosphanyl]heptane-1-sulfonic acid CAS Name: 7-[[N-[bis(7-sulfoheptyl)phosphinomethyl]anilino]methyl-(7-sulfoheptyl)phosphino]-1-heptanesulfonic acid IUPAC Name: 7-[[N-[bis(7-sulfoheptyl)phosphanylmethyl]anilino]methyl-(7-sulfoheptyl)phosphanyl]heptane-1-sulfonic acid Traditional Name: 7-[[N-[bis(7-sulfoheptyl)phosphinomethyl]anilino]methyl-(7-sulfoheptyl)phosphino]heptane-1-sulfonic acid Formula: C36H69NO12P2S4 MolecularWeight: 898.140082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H69NO12P2S4/c38-52(39,40)30-20-9-1-5-16-26-50(27-17-6-2-10-21-31-53(41,42)43)34-37(36-24-14-13-15-25-36)35-51(28-18-7-3-11-22-32-54(44,45)46)29-19-8-4-12-23-33-55(47,48)49/h13-15,24-25H,1-12,16-23,26-35H2,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)