2-oxidanyl-3-[1-(5-phenyl-8-sulfanyl-heptadecan-8-yl)oxypropoxy]-2-phosphoroso-propanoic acid

Systemtic Name: 2-oxidanyl-3-[1-(5-phenyl-8-sulfanyl-heptadecan-8-yl)oxypropoxy]-2-phosphoroso-propanoic acid Openeye Name: 2-hydroxy-3-[1-[1-(3-phenylheptyl)-1-sulfanyl-decoxy]propoxy]-2-phosphoroso-propanoic acid CAS Name: 2-hydroxy-3-[1-(8-mercapto-5-phenylheptadecan-8-yl)oxypropoxy]-2-phosphorosopropanoic acid IUPAC Name: 2-hydroxy-3-[1-(5-phenyl-8-sulfanylheptadecan-8-yl)oxypropoxy]-2-phosphorosopropanoic acid Traditional Name: 2-hydroxy-3-[1-[1-mercapto-1-(3-phenylheptyl)decoxy]propoxy]-2-phosphoroso-propionic acid Formula: C29H49O6PS MolecularWeight: 556.734521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H49O6PS/c1-4-7-9-10-11-12-16-21-28(37,35-26(6-3)34-23-29(32,36-33)27(30)31)22-20-25(17-8-5-2)24-18-14-13-15-19-24/h13-15,18-19,25-26,32,37H,4-12,16-17,20-23H2,1-3H3,(H,30,31)