[(E)-3-(1-methylcyclohexa-2,4-dien-1-yl)prop-2-enyl] propanoate

Systemtic Name: [(E)-3-(1-methylcyclohexa-2,4-dien-1-yl)prop-2-enyl] propanoate Openeye Name: [(E)-3-(1-methylcyclohexa-2,4-dien-1-yl)allyl] propanoate CAS Name: propanoic acid [(E)-3-(1-methyl-1-cyclohexa-2,4-dienyl)prop-2-enyl] ester IUPAC Name: [(E)-3-(1-methylcyclohexa-2,4-dien-1-yl)prop-2-enyl] propanoate Traditional Name: propionic acid [(E)-3-(1-methylcyclohexa-2,4-dien-1-yl)allyl] ester Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC=CC1(CC=CC=C1)C

Isomeric SMILES

CCC(=O)OC/C=C/C1(CC=CC=C1)C

InChI

InChI=1S/C13H18O2/c1-3-12(14)15-11-7-10-13(2)8-5-4-6-9-13/h4-8,10H,3,9,11H2,1-2H3/b10-7+