4-[3-[3-phosphanyl-2,4-bis[(4-sulfophenoxy)carbonyloxy]pentan-3-yl]tridecan-2-yloxycarbonyloxy]benzenesulfonic acid

Systemtic Name: 4-[3-[3-phosphanyl-2,4-bis[(4-sulfophenoxy)carbonyloxy]pentan-3-yl]tridecan-2-yloxycarbonyloxy]benzenesulfonic acid Openeye Name: 4-[1-methyl-2-[1-phosphanyl-2-(4-sulfophenoxy)carbonyloxy-1-[1-(4-sulfophenoxy)carbonyloxyethyl]propyl]dodecoxy]carbonyloxybenzenesulfonic acid CAS Name: 4-[3-[2,4-bis[oxo-(4-sulfophenoxy)methoxy]-3-phosphinopentan-3-yl]tridecan-2-yloxy-oxomethoxy]benzenesulfonic acid IUPAC Name: 4-[3-[3-phosphanyl-2,4-bis[(4-sulfophenoxy)carbonyloxy]pentan-3-yl]tridecan-2-yloxycarbonyloxy]benzenesulfonic acid Traditional Name: 4-[1-methyl-2-[1-phosphino-2-(4-sulfophenoxy)carbonyloxy-1-[1-(4-sulfophenoxy)carbonyloxyethyl]propyl]dodecoxy]carbonyloxybesylic acid Formula: C39H51O18PS3 MolecularWeight: 934.980201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(C)OC(=O)OC1=CC=C(C=C1)S(=O)(=O)O)C(C(C)OC(=O)OC2=CC=C(C=C2)S(=O)(=O)O)(C(C)OC(=O)OC3=CC=C(C=C3)S(=O)(=O)O)P

Isomeric SMILES

CCCCCCCCCCC(C(C)OC(=O)OC1=CC=C(C=C1)S(=O)(=O)O)C(C(C)OC(=O)OC2=CC=C(C=C2)S(=O)(=O)O)(C(C)OC(=O)OC3=CC=C(C=C3)S(=O)(=O)O)P

InChI

InChI=1S/C39H51O18PS3/c1-5-6-7-8-9-10-11-12-13-35(26(2)52-36(40)55-29-14-20-32(21-15-29)59(43,44)45)39(58,27(3)53-37(41)56-30-16-22-33(23-17-30)60(46,47)48)28(4)54-38(42)57-31-18-24-34(25-19-31)61(49,50)51/h14-28,35H,5-13,58H2,1-4H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)