butane-1,3-diol; 2-butyl-2-ethyl-propane-1,3-diol

Systemtic Name: butane-1,3-diol; 2-butyl-2-ethyl-propane-1,3-diol Openeye Name: butane-1,3-diol; 2-butyl-2-ethyl-propane-1,3-diol CAS Name: butane-1,3-diol; 2-butyl-2-ethylpropane-1,3-diol IUPAC Name: butane-1,3-diol; 2-butyl-2-ethylpropane-1,3-diol Traditional Name: butane-1,3-diol; 2-butyl-2-ethyl-propane-1,3-diol Formula: C13H30O4 MolecularWeight: 250.3749

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CO)CO.CC(CCO)O

Isomeric SMILES

CCCCC(CC)(CO)CO.CC(CCO)O

InChI

InChI=1S/C9H20O2.C4H10O2/c1-3-5-6-9(4-2,7-10)8-11;1-4(6)2-3-5/h10-11H,3-8H2,1-2H3;4-6H,2-3H2,1H3