5-[[bis(5-sulfopentyl)phosphanylmethyl-phenyl-amino]methyl-(5-sulfopentyl)phosphanyl]pentane-1-sulfonic acid

Systemtic Name: 5-[[bis(5-sulfopentyl)phosphanylmethyl-phenyl-amino]methyl-(5-sulfopentyl)phosphanyl]pentane-1-sulfonic acid Openeye Name: 5-[[N-[bis(5-sulfopentyl)phosphanylmethyl]anilino]methyl-(5-sulfopentyl)phosphanyl]pentane-1-sulfonic acid CAS Name: 5-[[N-[bis(5-sulfopentyl)phosphinomethyl]anilino]methyl-(5-sulfopentyl)phosphino]-1-pentanesulfonic acid IUPAC Name: 5-[[N-[bis(5-sulfopentyl)phosphanylmethyl]anilino]methyl-(5-sulfopentyl)phosphanyl]pentane-1-sulfonic acid Traditional Name: 5-[[N-[bis(5-sulfopentyl)phosphinomethyl]anilino]methyl-(5-sulfopentyl)phosphino]pentane-1-sulfonic acid Formula: C28H53NO12P2S4 MolecularWeight: 785.927442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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