2-hepta-1,6-dien-4-yl-3-(hydroxymethyl)butane-1,4-diol

Systemtic Name: 2-hepta-1,6-dien-4-yl-3-(hydroxymethyl)butane-1,4-diol Openeye Name: 2-(1-allylbut-3-enyl)-3-(hydroxymethyl)butane-1,4-diol CAS Name: 2-hepta-1,6-dien-4-yl-3-(hydroxymethyl)butane-1,4-diol IUPAC Name: 2-hepta-1,6-dien-4-yl-3-(hydroxymethyl)butane-1,4-diol Traditional Name: 2-(1-allylbut-3-enyl)-3-methylol-butane-1,4-diol Formula: C12H22O3 MolecularWeight: 214.30128

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)C(CO)C(CO)CO

Isomeric SMILES

C=CCC(CC=C)C(CO)C(CO)CO

InChI

InChI=1S/C12H22O3/c1-3-5-10(6-4-2)12(9-15)11(7-13)8-14/h3-4,10-15H,1-2,5-9H2