3-[1-[8-cyclohexyl-6,7-bis(sulfanyl)pentadecan-6-yl]oxypropoxy]-2-oxidanyl-2-phosphoroso-propanoic acid

Systemtic Name: 3-[1-[8-cyclohexyl-6,7-bis(sulfanyl)pentadecan-6-yl]oxypropoxy]-2-oxidanyl-2-phosphoroso-propanoic acid Openeye Name: 3-[1-[3-cyclohexyl-1-pentyl-1,2-bis(sulfanyl)decoxy]propoxy]-2-hydroxy-2-phosphoroso-propanoic acid CAS Name: 3-[1-(8-cyclohexyl-6,7-dimercaptopentadecan-6-yl)oxypropoxy]-2-hydroxy-2-phosphorosopropanoic acid IUPAC Name: 3-[1-[8-cyclohexyl-6,7-bis(sulfanyl)pentadecan-6-yl]oxypropoxy]-2-hydroxy-2-phosphorosopropanoic acid Traditional Name: 3-[1-(1-amyl-3-cyclohexyl-1,2-dimercapto-decoxy)propoxy]-2-hydroxy-2-phosphoroso-propionic acid Formula: C27H51O6PS2 MolecularWeight: 566.794001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C1CCCCC1)C(C(CCCCC)(OC(CC)OCC(C(=O)O)(O)P=O)S)S

Isomeric SMILES

CCCCCCCC(C1CCCCC1)C(C(CCCCC)(OC(CC)OCC(C(=O)O)(O)P=O)S)S

InChI

InChI=1S/C27H51O6PS2/c1-4-7-9-10-14-18-22(21-16-12-11-13-17-21)24(35)27(36,19-15-8-5-2)33-23(6-3)32-20-26(30,34-31)25(28)29/h21-24,30,35-36H,4-20H2,1-3H3,(H,28,29)