3-[1-(6-cycloheptyl-9-sulfanyl-octadecan-9-yl)oxypropoxy]-2-oxidanyl-2-phosphoroso-propanoic acid

Systemtic Name: 3-[1-(6-cycloheptyl-9-sulfanyl-octadecan-9-yl)oxypropoxy]-2-oxidanyl-2-phosphoroso-propanoic acid Openeye Name: 3-[1-[1-(3-cycloheptyloctyl)-1-sulfanyl-decoxy]propoxy]-2-hydroxy-2-phosphoroso-propanoic acid CAS Name: 3-[1-(6-cycloheptyl-9-mercaptooctadecan-9-yl)oxypropoxy]-2-hydroxy-2-phosphorosopropanoic acid IUPAC Name: 3-[1-(6-cycloheptyl-9-sulfanyloctadecan-9-yl)oxypropoxy]-2-hydroxy-2-phosphorosopropanoic acid Traditional Name: 3-[1-[1-(3-cycloheptyloctyl)-1-mercapto-decoxy]propoxy]-2-hydroxy-2-phosphoroso-propionic acid Formula: C31H59O6PS MolecularWeight: 590.835321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCC(CCCCC)C1CCCCCC1)(OC(CC)OCC(C(=O)O)(O)P=O)S

Isomeric SMILES

CCCCCCCCCC(CCC(CCCCC)C1CCCCCC1)(OC(CC)OCC(C(=O)O)(O)P=O)S

InChI

InChI=1S/C31H59O6PS/c1-4-7-9-10-11-14-18-23-30(39,37-28(6-3)36-25-31(34,38-35)29(32)33)24-22-27(19-15-8-5-2)26-20-16-12-13-17-21-26/h26-28,34,39H,4-25H2,1-3H3,(H,32,33)