2-(hydroxymethyl)-2-(4-prop-2-enylhepta-1,6-dien-4-yl)propane-1,3-diol hydrate

Systemtic Name: 2-(hydroxymethyl)-2-(4-prop-2-enylhepta-1,6-dien-4-yl)propane-1,3-diol hydrate Openeye Name: 2-(1,1-diallylbut-3-enyl)-2-(hydroxymethyl)propane-1,3-diol hydrate CAS Name: 2-(hydroxymethyl)-2-(4-prop-2-enylhepta-1,6-dien-4-yl)propane-1,3-diol hydrate IUPAC Name: 2-(hydroxymethyl)-2-(4-prop-2-enylhepta-1,6-dien-4-yl)propane-1,3-diol hydrate Traditional Name: 2-(1,1-diallylbut-3-enyl)-2-methylol-propane-1,3-diol hydrate Formula: C14H26O4 MolecularWeight: 258.35384

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)(CC=C)C(CO)(CO)CO.O

Isomeric SMILES

C=CCC(CC=C)(CC=C)C(CO)(CO)CO.O

InChI

InChI=1S/C14H24O3.H2O/c1-4-7-13(8-5-2,9-6-3)14(10-15,11-16)12-17;/h4-6,15-17H,1-3,7-12H2;1H2