butane-1,3-diol; butane-1,4-diol; 2-butyl-2-ethyl-propane-1,3-diol; 2-ethyl-2-(2-methylpropyl)propane-1,3-diol

Systemtic Name: butane-1,3-diol; butane-1,4-diol; 2-butyl-2-ethyl-propane-1,3-diol; 2-ethyl-2-(2-methylpropyl)propane-1,3-diol Openeye Name: butane-1,3-diol; butane-1,4-diol; 2-butyl-2-ethyl-propane-1,3-diol; 2-ethyl-2-isobutyl-propane-1,3-diol CAS Name: butane-1,3-diol; butane-1,4-diol; 2-butyl-2-ethylpropane-1,3-diol; 2-ethyl-2-(2-methylpropyl)propane-1,3-diol IUPAC Name: butane-1,3-diol; butane-1,4-diol; 2-butyl-2-ethylpropane-1,3-diol; 2-ethyl-2-(2-methylpropyl)propane-1,3-diol Traditional Name: butane-1,3-diol; butane-1,4-diol; 2-butyl-2-ethyl-propane-1,3-diol; 2-ethyl-2-isobutyl-propane-1,3-diol Formula: C26H60O8 MolecularWeight: 500.7498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H20O2.2C4H10O2/c1-4-9(6-10,7-11)5-8(2)3;1-3-5-6-9(4-2,7-10)8-11;1-4(6)2-3-5;5-3-1-2-4-6/h8,10-11H,4-7H2,1-3H3;10-11H,3-8H2,1-2H3;4-6H,2-3H2,1H3;5-6H,1-4H2