7-[phenyl-(7-phosphanyl-1,13-disulfo-tridecan-7-yl)amino]-7-phosphanyl-tridecane-1,13-disulfonic acid

Systemtic Name: 7-[phenyl-(7-phosphanyl-1,13-disulfo-tridecan-7-yl)amino]-7-phosphanyl-tridecane-1,13-disulfonic acid Openeye Name: 7-phosphanyl-7-(N-[1-phosphanyl-7-sulfo-1-(6-sulfohexyl)heptyl]anilino)tridecane-1,13-disulfonic acid CAS Name: 7-phosphino-7-(N-(7-phosphino-1,13-disulfotridecan-7-yl)anilino)tridecane-1,13-disulfonic acid IUPAC Name: 7-phosphanyl-7-(N-(7-phosphanyl-1,13-disulfotridecan-7-yl)anilino)tridecane-1,13-disulfonic acid Traditional Name: 7-phosphino-7-(N-[1-phosphino-7-sulfo-1-(6-sulfohexyl)heptyl]anilino)tridecane-1,13-disulfonic acid Formula: C32H61NO12P2S4 MolecularWeight: 842.033762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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