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

Systemtic Name: 3-[1-(3-octyl-1-sulfanyl-pentadecoxy)propoxy]-2-oxidanyl-2-phosphoroso-propanoic acid Openeye Name: 2-hydroxy-3-[1-(3-octyl-1-sulfanyl-pentadecoxy)propoxy]-2-phosphoroso-propanoic acid CAS Name: 2-hydroxy-3-[1-(1-mercapto-3-octylpentadecoxy)propoxy]-2-phosphorosopropanoic acid IUPAC Name: 2-hydroxy-3-[1-(3-octyl-1-sulfanylpentadecoxy)propoxy]-2-phosphorosopropanoic acid Traditional Name: 2-hydroxy-3-[1-(1-mercapto-3-octyl-pentadecoxy)propoxy]-2-phosphoroso-propionic acid Formula: C29H57O6PS MolecularWeight: 564.798041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H57O6PS/c1-4-7-9-11-13-14-15-16-18-20-22-25(21-19-17-12-10-8-5-2)23-27(37)35-26(6-3)34-24-29(32,36-33)28(30)31/h25-27,32,37H,4-24H2,1-3H3,(H,30,31)