heptyl (E)-2-methylbut-2-enoate

Systemtic Name: heptyl (E)-2-methylbut-2-enoate Openeye Name: heptyl (E)-2-methylbut-2-enoate CAS Name: (E)-2-methyl-2-butenoic acid heptyl ester IUPAC Name: heptyl (E)-2-methylbut-2-enoate Traditional Name: (E)-2-methylbut-2-enoic acid heptyl ester Formula: C12H22O2 MolecularWeight: 198.30188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C(=CC)C

Isomeric SMILES

CCCCCCCOC(=O)/C(=C/C)/C

InChI

InChI=1S/C12H22O2/c1-4-6-7-8-9-10-14-12(13)11(3)5-2/h5H,4,6-10H2,1-3H3/b11-5+