3,3-dimethylheptane-2,2-diol; 2-dodecylsulfanylethanol

Systemtic Name: 3,3-dimethylheptane-2,2-diol; 2-dodecylsulfanylethanol Openeye Name: 3,3-dimethylheptane-2,2-diol; 2-dodecylsulfanylethanol CAS Name: 3,3-dimethylheptane-2,2-diol; 2-(dodecylthio)ethanol IUPAC Name: 3,3-dimethylheptane-2,2-diol; 2-dodecylsulfanylethanol Traditional Name: 3,3-dimethylheptane-2,2-diol; 2-(laurylthio)ethanol Formula: C23H50O3S MolecularWeight: 406.7063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCO.CCCCC(C)(C)C(C)(O)O

Isomeric SMILES

CCCCCCCCCCCCSCCO.CCCCC(C)(C)C(C)(O)O

InChI

InChI=1S/C14H30OS.C9H20O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15;1-5-6-7-8(2,3)9(4,10)11/h15H,2-14H2,1H3;10-11H,5-7H2,1-4H3