heptan-3-yl 2-methylbenzoate

Systemtic Name: heptan-3-yl 2-methylbenzoate Openeye Name: 1-ethylpentyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid heptan-3-yl ester IUPAC Name: heptan-3-yl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid 1-ethylpentyl ester Formula: C15H22O2 MolecularWeight: 234.33398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)OC(=O)C1=CC=CC=C1C

Isomeric SMILES

CCCCC(CC)OC(=O)C1=CC=CC=C1C

InChI

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