4-dodecylsulfanylbutane-1,2-diol; 4-dodecylsulfanylbutane-1,3-diol

Systemtic Name: 4-dodecylsulfanylbutane-1,2-diol; 4-dodecylsulfanylbutane-1,3-diol Openeye Name: 4-dodecylsulfanylbutane-1,2-diol; 4-dodecylsulfanylbutane-1,3-diol CAS Name: 4-(dodecylthio)butane-1,2-diol; 4-(dodecylthio)butane-1,3-diol IUPAC Name: 4-dodecylsulfanylbutane-1,2-diol; 4-dodecylsulfanylbutane-1,3-diol Traditional Name: 4-(laurylthio)butane-1,2-diol; 4-(laurylthio)butane-1,3-diol Formula: C32H68O4S2 MolecularWeight: 581.00992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCC(CO)O.CCCCCCCCCCCCSCC(CCO)O

Isomeric SMILES

CCCCCCCCCCCCSCCC(CO)O.CCCCCCCCCCCCSCC(CCO)O

InChI

InChI=1S/2C16H34O2S/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-16(18)12-13-17;1-2-3-4-5-6-7-8-9-10-11-13-19-14-12-16(18)15-17/h2*16-18H,2-15H2,1H3