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

Systemtic Name: 3-[1-(3-hexyl-1-sulfanyl-pentadecoxy)propoxy]-2-oxidanyl-2-phosphoroso-propanoic acid Openeye Name: 3-[1-(3-hexyl-1-sulfanyl-pentadecoxy)propoxy]-2-hydroxy-2-phosphoroso-propanoic acid CAS Name: 3-[1-(3-hexyl-1-mercaptopentadecoxy)propoxy]-2-hydroxy-2-phosphorosopropanoic acid IUPAC Name: 3-[1-(3-hexyl-1-sulfanylpentadecoxy)propoxy]-2-hydroxy-2-phosphorosopropanoic acid Traditional Name: 3-[1-(3-hexyl-1-mercapto-pentadecoxy)propoxy]-2-hydroxy-2-phosphoroso-propionic acid Formula: C27H53O6PS MolecularWeight: 536.744881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H53O6PS/c1-4-7-9-11-12-13-14-15-16-18-20-23(19-17-10-8-5-2)21-25(35)33-24(6-3)32-22-27(30,34-31)26(28)29/h23-25,30,35H,4-22H2,1-3H3,(H,28,29)