(2R,3S)-2-heptyl-4-methyl-pentane-1,3-diol

Systemtic Name: (2R,3S)-2-heptyl-4-methyl-pentane-1,3-diol Openeye Name: (2R,3S)-2-heptyl-4-methyl-pentane-1,3-diol CAS Name: (2R,3S)-2-heptyl-4-methylpentane-1,3-diol IUPAC Name: (2R,3S)-2-heptyl-4-methylpentane-1,3-diol Traditional Name: (2R,3S)-2-heptyl-4-methyl-pentane-1,3-diol Formula: C13H28O2 MolecularWeight: 216.36022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CO)C(C(C)C)O

Isomeric SMILES

CCCCCCC[C@H](CO)[C@H](C(C)C)O

InChI

InChI=1S/C13H28O2/c1-4-5-6-7-8-9-12(10-14)13(15)11(2)3/h11-15H,4-10H2,1-3H3/t12-,13+/m1/s1