hexyl 3-methanoylbenzoate

Systemtic Name: hexyl 3-methanoylbenzoate Openeye Name: hexyl 3-formylbenzoate CAS Name: 3-formylbenzoic acid hexyl ester IUPAC Name: hexyl 3-formylbenzoate Traditional Name: 3-formylbenzoic acid hexyl ester Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=CC(=C1)C=O

Isomeric SMILES

CCCCCCOC(=O)C1=CC=CC(=C1)C=O

InChI

InChI=1S/C14H18O3/c1-2-3-4-5-9-17-14(16)13-8-6-7-12(10-13)11-15/h6-8,10-11H,2-5,9H2,1H3