[(Z)-3-methyl-3-oxidanyl-but-1-enyl] benzoate

Systemtic Name: [(Z)-3-methyl-3-oxidanyl-but-1-enyl] benzoate Openeye Name: [(Z)-3-hydroxy-3-methyl-but-1-enyl] benzoate CAS Name: benzoic acid [(Z)-3-hydroxy-3-methylbut-1-enyl] ester IUPAC Name: [(Z)-3-hydroxy-3-methylbut-1-enyl] benzoate Traditional Name: benzoic acid [(Z)-3-hydroxy-3-methyl-but-1-enyl] ester Formula: C12H14O3 MolecularWeight: 206.23776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O3/c1-12(2,14)8-9-15-11(13)10-6-4-3-5-7-10/h3-9,14H,1-2H3/b9-8-