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

Systemtic Name: 2-oxidanyl-2-[1-(3-pentyl-1-sulfanyl-pentadecoxy)propoxy]-2-phosphoroso-ethanoic acid Openeye Name: 2-hydroxy-2-[1-(3-pentyl-1-sulfanyl-pentadecoxy)propoxy]-2-phosphoroso-acetic acid CAS Name: 2-hydroxy-2-[1-(1-mercapto-3-pentylpentadecoxy)propoxy]-2-phosphorosoacetic acid IUPAC Name: 2-hydroxy-2-[1-(3-pentyl-1-sulfanylpentadecoxy)propoxy]-2-phosphorosoacetic acid Traditional Name: 2-[1-(3-amyl-1-mercapto-pentadecoxy)propoxy]-2-hydroxy-2-phosphoroso-acetic acid Formula: C25H49O6PS MolecularWeight: 508.691721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H49O6PS/c1-4-7-9-10-11-12-13-14-15-17-19-21(18-16-8-5-2)20-23(33)30-22(6-3)31-25(28,32-29)24(26)27/h21-23,28,33H,4-20H2,1-3H3,(H,26,27)