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

Systemtic Name: 2-[1-(5-cyclohexyl-8-sulfanyl-heptadecan-8-yl)oxypropoxy]-2-oxidanyl-2-phosphoroso-ethanoic acid Openeye Name: 2-[1-[1-(3-cyclohexylheptyl)-1-sulfanyl-decoxy]propoxy]-2-hydroxy-2-phosphoroso-acetic acid CAS Name: 2-[1-(5-cyclohexyl-8-mercaptoheptadecan-8-yl)oxypropoxy]-2-hydroxy-2-phosphorosoacetic acid IUPAC Name: 2-[1-(5-cyclohexyl-8-sulfanylheptadecan-8-yl)oxypropoxy]-2-hydroxy-2-phosphorosoacetic acid Traditional Name: 2-[1-[1-(3-cyclohexylheptyl)-1-mercapto-decoxy]propoxy]-2-hydroxy-2-phosphoroso-acetic acid Formula: C28H53O6PS MolecularWeight: 548.755581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H53O6PS/c1-4-7-9-10-11-12-16-21-27(36,33-25(6-3)34-28(31,35-32)26(29)30)22-20-24(17-8-5-2)23-18-14-13-15-19-23/h23-25,31,36H,4-22H2,1-3H3,(H,29,30)