heptyl 3-bromanylbenzoate

Systemtic Name: heptyl 3-bromanylbenzoate Openeye Name: heptyl 3-bromobenzoate CAS Name: 3-bromobenzoic acid heptyl ester IUPAC Name: heptyl 3-bromobenzoate Traditional Name: 3-bromobenzoic acid heptyl ester Formula: C14H19BrO2 MolecularWeight: 299.20346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC(=CC=C1)Br

Isomeric SMILES

CCCCCCCOC(=O)C1=CC(=CC=C1)Br

InChI

InChI=1S/C14H19BrO2/c1-2-3-4-5-6-10-17-14(16)12-8-7-9-13(15)11-12/h7-9,11H,2-6,10H2,1H3