5-hexadecylsulfanylpentan-1-ol; phosphoric acid

Systemtic Name: 5-hexadecylsulfanylpentan-1-ol; phosphoric acid Openeye Name: 5-hexadecylsulfanylpentan-1-ol; phosphoric acid CAS Name: 5-(hexadecylthio)-1-pentanol; phosphoric acid IUPAC Name: 5-hexadecylsulfanylpentan-1-ol; phosphoric acid Traditional Name: 5-(cetylthio)pentan-1-ol; phosphoric acid Formula: C21H47O5PS MolecularWeight: 442.633641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCCCCCO.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSCCCCCO.OP(=O)(O)O

InChI

InChI=1S/C21H44OS.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-21-18-15-16-19-22;1-5(2,3)4/h22H,2-21H2,1H3;(H3,1,2,3,4)