2-oxidanyl-2-phosphoroso-2-[1-(9-sulfanyloctadecan-9-yloxy)propoxy]ethanoic acid

Systemtic Name: 2-oxidanyl-2-phosphoroso-2-[1-(9-sulfanyloctadecan-9-yloxy)propoxy]ethanoic acid Openeye Name: 2-hydroxy-2-[1-(1-octyl-1-sulfanyl-decoxy)propoxy]-2-phosphoroso-acetic acid CAS Name: 2-hydroxy-2-[1-(9-mercaptooctadecan-9-yloxy)propoxy]-2-phosphorosoacetic acid IUPAC Name: 2-hydroxy-2-phosphoroso-2-[1-(9-sulfanyloctadecan-9-yloxy)propoxy]acetic acid Traditional Name: 2-hydroxy-2-[1-(1-mercapto-1-octyl-decoxy)propoxy]-2-phosphoroso-acetic acid Formula: C23H45O6PS MolecularWeight: 480.638561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)(OC(CC)OC(C(=O)O)(O)P=O)S

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)(OC(CC)OC(C(=O)O)(O)P=O)S

InChI

InChI=1S/C23H45O6PS/c1-4-7-9-11-13-15-17-19-22(31,18-16-14-12-10-8-5-2)28-20(6-3)29-23(26,30-27)21(24)25/h20,26,31H,4-19H2,1-3H3,(H,24,25)