heptan-3-yl 3-methylbenzoate

Systemtic Name: heptan-3-yl 3-methylbenzoate Openeye Name: 1-ethylpentyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid heptan-3-yl ester IUPAC Name: heptan-3-yl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 1-ethylpentyl ester Formula: C15H22O2 MolecularWeight: 234.33398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)OC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCCCC(CC)OC(=O)C1=CC(=CC=C1)C

InChI

InChI=1S/C15H22O2/c1-4-6-10-14(5-2)17-15(16)13-9-7-8-12(3)11-13/h7-9,11,14H,4-6,10H2,1-3H3