[(E)-7-chloranyl-7-methyl-oct-3-enyl] 3-methylbenzoate

Systemtic Name: [(E)-7-chloranyl-7-methyl-oct-3-enyl] 3-methylbenzoate Openeye Name: [(E)-7-chloro-7-methyl-oct-3-enyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [(E)-7-chloro-7-methyloct-3-enyl] ester IUPAC Name: [(E)-7-chloro-7-methyloct-3-enyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [(E)-7-chloro-7-methyl-oct-3-enyl] ester Formula: C17H23ClO2 MolecularWeight: 294.81632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCCC=CCCC(C)(C)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC/C=C/CCC(C)(C)Cl

InChI

InChI=1S/C17H23ClO2/c1-14-9-8-10-15(13-14)16(19)20-12-7-5-4-6-11-17(2,3)18/h4-5,8-10,13H,6-7,11-12H2,1-3H3/b5-4+