2-[1-(3-heptyl-1-sulfanyl-tridecoxy)propoxy]-2-oxidanyl-2-phosphoroso-ethanoic acid

Systemtic Name: 2-[1-(3-heptyl-1-sulfanyl-tridecoxy)propoxy]-2-oxidanyl-2-phosphoroso-ethanoic acid Openeye Name: 2-[1-(3-heptyl-1-sulfanyl-tridecoxy)propoxy]-2-hydroxy-2-phosphoroso-acetic acid CAS Name: 2-[1-(3-heptyl-1-mercaptotridecoxy)propoxy]-2-hydroxy-2-phosphorosoacetic acid IUPAC Name: 2-[1-(3-heptyl-1-sulfanyltridecoxy)propoxy]-2-hydroxy-2-phosphorosoacetic acid Traditional Name: 2-[1-(3-heptyl-1-mercapto-tridecoxy)propoxy]-2-hydroxy-2-phosphoroso-acetic acid Formula: C25H49O6PS MolecularWeight: 508.691721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCC)CC(OC(CC)OC(C(=O)O)(O)P=O)S

Isomeric SMILES

CCCCCCCCCCC(CCCCCCC)CC(OC(CC)OC(C(=O)O)(O)P=O)S

InChI

InChI=1S/C25H49O6PS/c1-4-7-9-11-12-13-15-17-19-21(18-16-14-10-8-5-2)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)