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

Systemtic Name: 2-[1-(3-octyl-1-sulfanyl-tetradecoxy)propoxy]-2-oxidanyl-2-phosphoroso-ethanoic acid Openeye Name: 2-hydroxy-2-[1-(3-octyl-1-sulfanyl-tetradecoxy)propoxy]-2-phosphoroso-acetic acid CAS Name: 2-hydroxy-2-[1-(1-mercapto-3-octyltetradecoxy)propoxy]-2-phosphorosoacetic acid IUPAC Name: 2-hydroxy-2-[1-(3-octyl-1-sulfanyltetradecoxy)propoxy]-2-phosphorosoacetic acid Traditional Name: 2-hydroxy-2-[1-(1-mercapto-3-octyl-tetradecoxy)propoxy]-2-phosphoroso-acetic acid Formula: C27H53O6PS MolecularWeight: 536.744881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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