2,2-bis[(2S)-2-ethylhexyl]propane-1,3-diol

Systemtic Name: 2,2-bis[(2S)-2-ethylhexyl]propane-1,3-diol Openeye Name: 2,2-bis[(2S)-2-ethylhexyl]propane-1,3-diol CAS Name: 2,2-bis[(2S)-2-ethylhexyl]propane-1,3-diol IUPAC Name: 2,2-bis[(2S)-2-ethylhexyl]propane-1,3-diol Traditional Name: 2,2-bis[(2S)-2-ethylhexyl]propane-1,3-diol Formula: C19H40O2 MolecularWeight: 300.5197

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC(CC)CCCC)(CO)CO

Isomeric SMILES

CCCC[C@H](CC)CC(C[C@@H](CC)CCCC)(CO)CO

InChI

InChI=1S/C19H40O2/c1-5-9-11-17(7-3)13-19(15-20,16-21)14-18(8-4)12-10-6-2/h17-18,20-21H,5-16H2,1-4H3/t17-,18-/m0/s1