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

Systemtic Name: 2-oxidanyl-2-[1-(5-phenyl-8-sulfanyl-heptadecan-8-yl)oxypropoxy]-2-phosphoroso-ethanoic acid Openeye Name: 2-hydroxy-2-[1-[1-(3-phenylheptyl)-1-sulfanyl-decoxy]propoxy]-2-phosphoroso-acetic acid CAS Name: 2-hydroxy-2-[1-(8-mercapto-5-phenylheptadecan-8-yl)oxypropoxy]-2-phosphorosoacetic acid IUPAC Name: 2-hydroxy-2-[1-(5-phenyl-8-sulfanylheptadecan-8-yl)oxypropoxy]-2-phosphorosoacetic acid Traditional Name: 2-hydroxy-2-[1-[1-mercapto-1-(3-phenylheptyl)decoxy]propoxy]-2-phosphoroso-acetic acid Formula: C28H47O6PS MolecularWeight: 542.707941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCC(CCCC)C1=CC=CC=C1)(OC(CC)OC(C(=O)O)(O)P=O)S

Isomeric SMILES

CCCCCCCCCC(CCC(CCCC)C1=CC=CC=C1)(OC(CC)OC(C(=O)O)(O)P=O)S

InChI

InChI=1S/C28H47O6PS/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/h13-15,18-19,24-25,31,36H,4-12,16-17,20-22H2,1-3H3,(H,29,30)