[(E)-2,3-dimethyl-4-oxidanyl-but-2-enyl] benzoate

Systemtic Name: [(E)-2,3-dimethyl-4-oxidanyl-but-2-enyl] benzoate Openeye Name: [(E)-4-hydroxy-2,3-dimethyl-but-2-enyl] benzoate CAS Name: benzoic acid [(E)-4-hydroxy-2,3-dimethylbut-2-enyl] ester IUPAC Name: [(E)-4-hydroxy-2,3-dimethylbut-2-enyl] benzoate Traditional Name: benzoic acid [(E)-4-hydroxy-2,3-dimethyl-but-2-enyl] ester Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3/c1-10(8-14)11(2)9-16-13(15)12-6-4-3-5-7-12/h3-7,14H,8-9H2,1-2H3/b11-10+