2-(hydroxymethyl)non-1-en-3-yl benzoate

Systemtic Name: 2-(hydroxymethyl)non-1-en-3-yl benzoate Openeye Name: 1-[1-(hydroxymethyl)vinyl]heptyl benzoate CAS Name: benzoic acid 2-(hydroxymethyl)non-1-en-3-yl ester IUPAC Name: 2-(hydroxymethyl)non-1-en-3-yl benzoate Traditional Name: benzoic acid (1-hexyl-2-methylol-allyl) ester Formula: C17H24O3 MolecularWeight: 276.37066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=C)CO)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCC(C(=C)CO)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H24O3/c1-3-4-5-9-12-16(14(2)13-18)20-17(19)15-10-7-6-8-11-15/h6-8,10-11,16,18H,2-5,9,12-13H2,1H3