3-octadecylsulfanylpropane-1,2-diol; phosphoric acid

Systemtic Name: 3-octadecylsulfanylpropane-1,2-diol; phosphoric acid Openeye Name: 3-octadecylsulfanylpropane-1,2-diol; phosphoric acid CAS Name: 3-(octadecylthio)propane-1,2-diol; phosphoric acid IUPAC Name: 3-octadecylsulfanylpropane-1,2-diol; phosphoric acid Traditional Name: phosphoric acid; 3-(stearylthio)propane-1,2-diol Formula: C21H47O6PS MolecularWeight: 458.633041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(CO)O.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(CO)O.OP(=O)(O)O

InChI

InChI=1S/C21H44O2S.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22;1-5(2,3)4/h21-23H,2-20H2,1H3;(H3,1,2,3,4)