6-[phenyl-(6-phosphanyl-1,11-disulfo-undecan-6-yl)amino]-6-phosphanyl-undecane-1,11-disulfonic acid

Systemtic Name: 6-[phenyl-(6-phosphanyl-1,11-disulfo-undecan-6-yl)amino]-6-phosphanyl-undecane-1,11-disulfonic acid Openeye Name: 6-phosphanyl-6-(N-[1-phosphanyl-6-sulfo-1-(5-sulfopentyl)hexyl]anilino)undecane-1,11-disulfonic acid CAS Name: 6-phosphino-6-(N-(6-phosphino-1,11-disulfoundecan-6-yl)anilino)undecane-1,11-disulfonic acid IUPAC Name: 6-phosphanyl-6-(N-(6-phosphanyl-1,11-disulfoundecan-6-yl)anilino)undecane-1,11-disulfonic acid Traditional Name: 6-phosphino-6-(N-[1-phosphino-6-sulfo-1-(5-sulfopentyl)hexyl]anilino)undecane-1,11-disulfonic acid Formula: C28H53NO12P2S4 MolecularWeight: 785.927442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H53NO12P2S4/c30-44(31,32)22-12-2-8-18-27(42,19-9-3-13-23-45(33,34)35)29(26-16-6-1-7-17-26)28(43,20-10-4-14-24-46(36,37)38)21-11-5-15-25-47(39,40)41/h1,6-7,16-17H,2-5,8-15,18-25,42-43H2,(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,39,40,41)