2-[3-(3-dodecylsulfanyldecan-2-yloxy)propoxy-oxidanyl-phosphoryl]ethanoic acid

Systemtic Name: 2-[3-(3-dodecylsulfanyldecan-2-yloxy)propoxy-oxidanyl-phosphoryl]ethanoic acid Openeye Name: 2-[3-(2-dodecylsulfanyl-1-methyl-nonoxy)propoxy-hydroxy-phosphoryl]acetic acid CAS Name: 2-[3-[3-(dodecylthio)decan-2-yloxy]propoxy-hydroxyphosphoryl]acetic acid IUPAC Name: 2-[3-(3-dodecylsulfanyldecan-2-yloxy)propoxy-hydroxyphosphoryl]acetic acid Traditional Name: 2-[hydroxy-[3-[2-(laurylthio)-1-methyl-nonoxy]propoxy]phosphoryl]acetic acid Formula: C27H55O6PS MolecularWeight: 538.760761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(CCCCCCC)C(C)OCCCOP(=O)(CC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCSC(CCCCCCC)C(C)OCCCOP(=O)(CC(=O)O)O

InChI

InChI=1S/C27H55O6PS/c1-4-6-8-10-11-12-13-14-16-18-23-35-26(20-17-15-9-7-5-2)25(3)32-21-19-22-33-34(30,31)24-27(28)29/h25-26H,4-24H2,1-3H3,(H,28,29)(H,30,31)