2-[1-(8-cyclohexyloxy-6-sulfanyl-pentadecan-6-yl)oxypropoxy]-2-oxidanyl-2-phosphoroso-ethanoic acid

Systemtic Name: 2-[1-(8-cyclohexyloxy-6-sulfanyl-pentadecan-6-yl)oxypropoxy]-2-oxidanyl-2-phosphoroso-ethanoic acid Openeye Name: 2-[1-[3-(cyclohexoxy)-1-pentyl-1-sulfanyl-decoxy]propoxy]-2-hydroxy-2-phosphoroso-acetic acid CAS Name: 2-[1-(8-cyclohexyloxy-6-mercaptopentadecan-6-yl)oxypropoxy]-2-hydroxy-2-phosphorosoacetic acid IUPAC Name: 2-[1-(8-cyclohexyloxy-6-sulfanylpentadecan-6-yl)oxypropoxy]-2-hydroxy-2-phosphorosoacetic acid Traditional Name: 2-[1-[1-amyl-3-(cyclohexoxy)-1-mercapto-decoxy]propoxy]-2-hydroxy-2-phosphoroso-acetic acid Formula: C26H49O7PS MolecularWeight: 536.701821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC(CCCCC)(OC(CC)OC(C(=O)O)(O)P=O)S)OC1CCCCC1

Isomeric SMILES

CCCCCCCC(CC(CCCCC)(OC(CC)OC(C(=O)O)(O)P=O)S)OC1CCCCC1

InChI

InChI=1S/C26H49O7PS/c1-4-7-9-10-12-18-22(31-21-16-13-11-14-17-21)20-25(35,19-15-8-5-2)32-23(6-3)33-26(29,34-30)24(27)28/h21-23,29,35H,4-20H2,1-3H3,(H,27,28)