heptyl 2-methylcyclohexa-1,3-diene-1-carboxylate

Systemtic Name: heptyl 2-methylcyclohexa-1,3-diene-1-carboxylate Openeye Name: heptyl 2-methylcyclohexa-1,3-diene-1-carboxylate CAS Name: 2-methyl-1-cyclohexa-1,3-dienecarboxylic acid heptyl ester IUPAC Name: heptyl 2-methylcyclohexa-1,3-diene-1-carboxylate Traditional Name: 2-methylcyclohexa-1,3-diene-1-carboxylic acid heptyl ester Formula: C15H24O2 MolecularWeight: 236.34986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(C=CCC1)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(C=CCC1)C

InChI

InChI=1S/C15H24O2/c1-3-4-5-6-9-12-17-15(16)14-11-8-7-10-13(14)2/h7,10H,3-6,8-9,11-12H2,1-2H3