3-[1-(3-octyl-1-sulfanyl-tetradecoxy)propoxy]-2-oxidanyl-2-phosphoroso-propanoic acid

Systemtic Name: 3-[1-(3-octyl-1-sulfanyl-tetradecoxy)propoxy]-2-oxidanyl-2-phosphoroso-propanoic acid Openeye Name: 2-hydroxy-3-[1-(3-octyl-1-sulfanyl-tetradecoxy)propoxy]-2-phosphoroso-propanoic acid CAS Name: 2-hydroxy-3-[1-(1-mercapto-3-octyltetradecoxy)propoxy]-2-phosphorosopropanoic acid IUPAC Name: 2-hydroxy-3-[1-(3-octyl-1-sulfanyltetradecoxy)propoxy]-2-phosphorosopropanoic acid Traditional Name: 2-hydroxy-3-[1-(1-mercapto-3-octyl-tetradecoxy)propoxy]-2-phosphoroso-propionic acid Formula: C28H55O6PS MolecularWeight: 550.771461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCCCCCC)CC(OC(CC)OCC(C(=O)O)(O)P=O)S

Isomeric SMILES

CCCCCCCCCCCC(CCCCCCCC)CC(OC(CC)OCC(C(=O)O)(O)P=O)S

InChI

InChI=1S/C28H55O6PS/c1-4-7-9-11-13-14-15-17-19-21-24(20-18-16-12-10-8-5-2)22-26(36)34-25(6-3)33-23-28(31,35-32)27(29)30/h24-26,31,36H,4-23H2,1-3H3,(H,29,30)