3-[1-(8-cyclohexyloxy-6-sulfanyl-pentadecan-6-yl)oxypropoxy]-2-oxidanyl-2-phosphoroso-propanoic acid

Systemtic Name: 3-[1-(8-cyclohexyloxy-6-sulfanyl-pentadecan-6-yl)oxypropoxy]-2-oxidanyl-2-phosphoroso-propanoic acid Openeye Name: 3-[1-[3-(cyclohexoxy)-1-pentyl-1-sulfanyl-decoxy]propoxy]-2-hydroxy-2-phosphoroso-propanoic acid CAS Name: 3-[1-(8-cyclohexyloxy-6-mercaptopentadecan-6-yl)oxypropoxy]-2-hydroxy-2-phosphorosopropanoic acid IUPAC Name: 3-[1-(8-cyclohexyloxy-6-sulfanylpentadecan-6-yl)oxypropoxy]-2-hydroxy-2-phosphorosopropanoic acid Traditional Name: 3-[1-[1-amyl-3-(cyclohexoxy)-1-mercapto-decoxy]propoxy]-2-hydroxy-2-phosphoroso-propionic acid Formula: C27H51O7PS MolecularWeight: 550.728401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H51O7PS/c1-4-7-9-10-12-18-23(33-22-16-13-11-14-17-22)20-26(36,19-15-8-5-2)34-24(6-3)32-21-27(30,35-31)25(28)29/h22-24,30,36H,4-21H2,1-3H3,(H,28,29)