(1-heptadecylsulfanyl-2-phenethyloxy-propan-2-yl) dihydrogen phosphate

Systemtic Name: (1-heptadecylsulfanyl-2-phenethyloxy-propan-2-yl) dihydrogen phosphate Openeye Name: (2-heptadecylsulfanyl-1-methyl-1-phenethyloxy-ethyl) dihydrogen phosphate CAS Name: [1-(heptadecylthio)-2-phenethyloxypropan-2-yl] dihydrogen phosphate IUPAC Name: (1-heptadecylsulfanyl-2-phenethyloxypropan-2-yl) dihydrogen phosphate Traditional Name: [2-(heptadecylthio)-1-methyl-1-phenethyloxy-ethyl] dihydrogen phosphate Formula: C28H51O5PS MolecularWeight: 530.740301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCSCC(C)(OCCC1=CC=CC=C1)OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCSCC(C)(OCCC1=CC=CC=C1)OP(=O)(O)O

InChI

InChI=1S/C28H51O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-35-26-28(2,33-34(29,30)31)32-24-23-27-21-18-17-19-22-27/h17-19,21-22H,3-16,20,23-26H2,1-2H3,(H2,29,30,31)