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

Systemtic Name: 2-[1-(3-heptyl-1-sulfanyl-pentadecoxy)propoxy]-2-oxidanyl-2-phosphoroso-ethanoic acid Openeye Name: 2-[1-(3-heptyl-1-sulfanyl-pentadecoxy)propoxy]-2-hydroxy-2-phosphoroso-acetic acid CAS Name: 2-[1-(3-heptyl-1-mercaptopentadecoxy)propoxy]-2-hydroxy-2-phosphorosoacetic acid IUPAC Name: 2-[1-(3-heptyl-1-sulfanylpentadecoxy)propoxy]-2-hydroxy-2-phosphorosoacetic acid Traditional Name: 2-[1-(3-heptyl-1-mercapto-pentadecoxy)propoxy]-2-hydroxy-2-phosphoroso-acetic acid Formula: C27H53O6PS MolecularWeight: 536.744881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H53O6PS/c1-4-7-9-11-12-13-14-15-17-19-21-23(20-18-16-10-8-5-2)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)