(2S,3S)-2-methyl-3-octyl-butane-1,4-diol

Systemtic Name: (2S,3S)-2-methyl-3-octyl-butane-1,4-diol Openeye Name: (2S,3S)-2-methyl-3-octyl-butane-1,4-diol CAS Name: (2S,3S)-2-methyl-3-octylbutane-1,4-diol IUPAC Name: (2S,3S)-2-methyl-3-octylbutane-1,4-diol Traditional Name: (2S,3S)-2-methyl-3-octyl-butane-1,4-diol Formula: C13H28O2 MolecularWeight: 216.36022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CO)C(C)CO

Isomeric SMILES

CCCCCCCC[C@H](CO)[C@H](C)CO

InChI

InChI=1S/C13H28O2/c1-3-4-5-6-7-8-9-13(11-15)12(2)10-14/h12-15H,3-11H2,1-2H3/t12-,13-/m1/s1