2-(heptadecylsulfanylmethyl)propane-1,3-diol; phosphoric acid

Systemtic Name: 2-(heptadecylsulfanylmethyl)propane-1,3-diol; phosphoric acid Openeye Name: 2-(heptadecylsulfanylmethyl)propane-1,3-diol; phosphoric acid CAS Name: 2-[(heptadecylthio)methyl]propane-1,3-diol; phosphoric acid IUPAC Name: 2-(heptadecylsulfanylmethyl)propane-1,3-diol; phosphoric acid Traditional Name: 2-[(heptadecylthio)methyl]propane-1,3-diol; phosphoric acid Formula: C21H47O6PS MolecularWeight: 458.633041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCSCC(CO)CO.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCSCC(CO)CO.OP(=O)(O)O

InChI

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