8-[phenyl-(8-phosphanyl-1,15-disulfonato-pentadecan-8-yl)amino]-8-phosphanyl-pentadecane-1,15-disulfonate

Systemtic Name: 8-[phenyl-(8-phosphanyl-1,15-disulfonato-pentadecan-8-yl)amino]-8-phosphanyl-pentadecane-1,15-disulfonate Openeye Name: 8-phosphanyl-8-(N-[1-phosphanyl-8-sulfonato-1-(7-sulfonatoheptyl)octyl]anilino)pentadecane-1,15-disulfonate CAS Name: 8-phosphino-8-(N-(8-phosphino-1,15-disulfonatopentadecan-8-yl)anilino)pentadecane-1,15-disulfonate IUPAC Name: 8-phosphanyl-8-(N-(8-phosphanyl-1,15-disulfonatopentadecan-8-yl)anilino)pentadecane-1,15-disulfonate Traditional Name: 8-phosphino-8-(N-[1-phosphino-8-sulfonato-1-(7-sulfonatoheptyl)octyl]anilino)pentadecane-1,15-disulfonate Formula: C36H65NO12P2S4-4 MolecularWeight: 894.108322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C(CCCCCCCS(=O)(=O)[O-])(CCCCCCCS(=O)(=O)[O-])P)C(CCCCCCCS(=O)(=O)[O-])(CCCCCCCS(=O)(=O)[O-])P

Isomeric SMILES

C1=CC=C(C=C1)N(C(CCCCCCCS(=O)(=O)[O-])(CCCCCCCS(=O)(=O)[O-])P)C(CCCCCCCS(=O)(=O)[O-])(CCCCCCCS(=O)(=O)[O-])P

InChI

InChI=1S/C36H69NO12P2S4/c38-52(39,40)30-20-9-1-5-16-26-35(50,27-17-6-2-10-21-31-53(41,42)43)37(34-24-14-13-15-25-34)36(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,1-12,16-23,26-33,50-51H2,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)/p-4