3-[1-(5-cyclohexyl-8-sulfanyl-heptadecan-8-yl)oxypropoxy]-2-oxidanyl-2-phosphoroso-propanoic acid

Systemtic Name: 3-[1-(5-cyclohexyl-8-sulfanyl-heptadecan-8-yl)oxypropoxy]-2-oxidanyl-2-phosphoroso-propanoic acid Openeye Name: 3-[1-[1-(3-cyclohexylheptyl)-1-sulfanyl-decoxy]propoxy]-2-hydroxy-2-phosphoroso-propanoic acid CAS Name: 3-[1-(5-cyclohexyl-8-mercaptoheptadecan-8-yl)oxypropoxy]-2-hydroxy-2-phosphorosopropanoic acid IUPAC Name: 3-[1-(5-cyclohexyl-8-sulfanylheptadecan-8-yl)oxypropoxy]-2-hydroxy-2-phosphorosopropanoic acid Traditional Name: 3-[1-[1-(3-cyclohexylheptyl)-1-mercapto-decoxy]propoxy]-2-hydroxy-2-phosphoroso-propionic acid Formula: C29H55O6PS MolecularWeight: 562.782161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCC(CCCC)C1CCCCC1)(OC(CC)OCC(C(=O)O)(O)P=O)S

Isomeric SMILES

CCCCCCCCCC(CCC(CCCC)C1CCCCC1)(OC(CC)OCC(C(=O)O)(O)P=O)S

InChI

InChI=1S/C29H55O6PS/c1-4-7-9-10-11-12-16-21-28(37,35-26(6-3)34-23-29(32,36-33)27(30)31)22-20-25(17-8-5-2)24-18-14-13-15-19-24/h24-26,32,37H,4-23H2,1-3H3,(H,30,31)