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

Systemtic Name: 3-[1-(3-hexyl-1-sulfanyl-tetradecoxy)propoxy]-2-oxidanyl-2-phosphoroso-propanoic acid Openeye Name: 3-[1-(3-hexyl-1-sulfanyl-tetradecoxy)propoxy]-2-hydroxy-2-phosphoroso-propanoic acid CAS Name: 3-[1-(3-hexyl-1-mercaptotetradecoxy)propoxy]-2-hydroxy-2-phosphorosopropanoic acid IUPAC Name: 3-[1-(3-hexyl-1-sulfanyltetradecoxy)propoxy]-2-hydroxy-2-phosphorosopropanoic acid Traditional Name: 3-[1-(3-hexyl-1-mercapto-tetradecoxy)propoxy]-2-hydroxy-2-phosphoroso-propionic acid Formula: C26H51O6PS MolecularWeight: 522.718301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H51O6PS/c1-4-7-9-11-12-13-14-15-17-19-22(18-16-10-8-5-2)20-24(34)32-23(6-3)31-21-26(29,33-30)25(27)28/h22-24,29,34H,4-21H2,1-3H3,(H,27,28)