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

Systemtic Name: 2-[1-(3-octyl-1-sulfanyl-pentadecoxy)propoxy]-2-oxidanyl-2-phosphoroso-ethanoic acid Openeye Name: 2-hydroxy-2-[1-(3-octyl-1-sulfanyl-pentadecoxy)propoxy]-2-phosphoroso-acetic acid CAS Name: 2-hydroxy-2-[1-(1-mercapto-3-octylpentadecoxy)propoxy]-2-phosphorosoacetic acid IUPAC Name: 2-hydroxy-2-[1-(3-octyl-1-sulfanylpentadecoxy)propoxy]-2-phosphorosoacetic acid Traditional Name: 2-hydroxy-2-[1-(1-mercapto-3-octyl-pentadecoxy)propoxy]-2-phosphoroso-acetic acid Formula: C28H55O6PS MolecularWeight: 550.771461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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