heptyl 4-ethylbenzoate

Systemtic Name: heptyl 4-ethylbenzoate Openeye Name: heptyl 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid heptyl ester IUPAC Name: heptyl 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid heptyl ester Formula: C16H24O2 MolecularWeight: 248.36056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O2/c1-3-5-6-7-8-13-18-16(17)15-11-9-14(4-2)10-12-15/h9-12H,3-8,13H2,1-2H3