[(E)-2-(hydroxymethyl)-3-(3-methylphenyl)prop-2-enyl] ethanoate

Systemtic Name: [(E)-2-(hydroxymethyl)-3-(3-methylphenyl)prop-2-enyl] ethanoate Openeye Name: [(E)-2-(hydroxymethyl)-3-(m-tolyl)allyl] acetate CAS Name: acetic acid [(E)-2-(hydroxymethyl)-3-(3-methylphenyl)prop-2-enyl] ester IUPAC Name: [(E)-2-(hydroxymethyl)-3-(3-methylphenyl)prop-2-enyl] acetate Traditional Name: acetic acid [(E)-2-methylol-3-(m-tolyl)allyl] ester Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C(CO)COC(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)/C=C(\CO)/COC(=O)C

InChI

InChI=1S/C13H16O3/c1-10-4-3-5-12(6-10)7-13(8-14)9-16-11(2)15/h3-7,14H,8-9H2,1-2H3/b13-7+