heptyl 3-methylbenzoate

Systemtic Name: heptyl 3-methylbenzoate Openeye Name: heptyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid heptyl ester IUPAC Name: heptyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid heptyl ester Formula: C15H22O2 MolecularWeight: 234.33398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCCCCCCOC(=O)C1=CC(=CC=C1)C

InChI

InChI=1S/C15H22O2/c1-3-4-5-6-7-11-17-15(16)14-10-8-9-13(2)12-14/h8-10,12H,3-7,11H2,1-2H3