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

Systemtic Name: 2-[1-(3-hexyl-1-sulfanyl-pentadecoxy)propoxy]-2-oxidanyl-2-phosphoroso-ethanoic acid Openeye Name: 2-[1-(3-hexyl-1-sulfanyl-pentadecoxy)propoxy]-2-hydroxy-2-phosphoroso-acetic acid CAS Name: 2-[1-(3-hexyl-1-mercaptopentadecoxy)propoxy]-2-hydroxy-2-phosphorosoacetic acid IUPAC Name: 2-[1-(3-hexyl-1-sulfanylpentadecoxy)propoxy]-2-hydroxy-2-phosphorosoacetic acid Traditional Name: 2-[1-(3-hexyl-1-mercapto-pentadecoxy)propoxy]-2-hydroxy-2-phosphoroso-acetic acid Formula: C26H51O6PS MolecularWeight: 522.718301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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