[2-(hexadecylsulfanylmethyl)-3-methoxy-propyl] dihydrogen phosphate

Systemtic Name: [2-(hexadecylsulfanylmethyl)-3-methoxy-propyl] dihydrogen phosphate Openeye Name: [2-(hexadecylsulfanylmethyl)-3-methoxy-propyl] dihydrogen phosphate CAS Name: [2-[(hexadecylthio)methyl]-3-methoxypropyl] dihydrogen phosphate IUPAC Name: [2-(hexadecylsulfanylmethyl)-3-methoxypropyl] dihydrogen phosphate Traditional Name: [2-[(cetylthio)methyl]-3-methoxy-propyl] dihydrogen phosphate Formula: C21H45O5PS MolecularWeight: 440.617761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(COC)COP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(COC)COP(=O)(O)O

InChI

InChI=1S/C21H45O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-20-21(18-25-2)19-26-27(22,23)24/h21H,3-20H2,1-2H3,(H2,22,23,24)