2-oxidanyl-2-phosphoroso-3-[1-(6-sulfanylpentadecan-6-yloxy)propoxy]propanoic acid

Systemtic Name: 2-oxidanyl-2-phosphoroso-3-[1-(6-sulfanylpentadecan-6-yloxy)propoxy]propanoic acid Openeye Name: 2-hydroxy-3-[1-(1-pentyl-1-sulfanyl-decoxy)propoxy]-2-phosphoroso-propanoic acid CAS Name: 2-hydroxy-3-[1-(6-mercaptopentadecan-6-yloxy)propoxy]-2-phosphorosopropanoic acid IUPAC Name: 2-hydroxy-2-phosphoroso-3-[1-(6-sulfanylpentadecan-6-yloxy)propoxy]propanoic acid Traditional Name: 3-[1-(1-amyl-1-mercapto-decoxy)propoxy]-2-hydroxy-2-phosphoroso-propionic acid Formula: C21H41O6PS MolecularWeight: 452.585401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCC)(OC(CC)OCC(C(=O)O)(O)P=O)S

Isomeric SMILES

CCCCCCCCCC(CCCCC)(OC(CC)OCC(C(=O)O)(O)P=O)S

InChI

InChI=1S/C21H41O6PS/c1-4-7-9-10-11-12-14-16-20(29,15-13-8-5-2)27-18(6-3)26-17-21(24,28-25)19(22)23/h18,24,29H,4-17H2,1-3H3,(H,22,23)