[2-[(E)-3-methyl-3-oxidanyl-but-1-enyl]phenyl] ethanoate

Systemtic Name: [2-[(E)-3-methyl-3-oxidanyl-but-1-enyl]phenyl] ethanoate Openeye Name: [2-[(E)-3-hydroxy-3-methyl-but-1-enyl]phenyl] acetate CAS Name: acetic acid [2-[(E)-3-hydroxy-3-methylbut-1-enyl]phenyl] ester IUPAC Name: [2-[(E)-3-hydroxy-3-methylbut-1-enyl]phenyl] acetate Traditional Name: acetic acid [2-[(E)-3-hydroxy-3-methyl-but-1-enyl]phenyl] ester Formula: C13H16O3 MolecularWeight: 220.26434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C=CC(C)(C)O

Isomeric SMILES

CC(=O)OC1=CC=CC=C1/C=C/C(C)(C)O

InChI

InChI=1S/C13H16O3/c1-10(14)16-12-7-5-4-6-11(12)8-9-13(2,3)15/h4-9,15H,1-3H3/b9-8+