4-methylpentyl 4-bromanylbenzoate

Systemtic Name: 4-methylpentyl 4-bromanylbenzoate Openeye Name: isohexyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid isohexyl ester Formula: C13H17BrO2 MolecularWeight: 285.17688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)CCCOC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C13H17BrO2/c1-10(2)4-3-9-16-13(15)11-5-7-12(14)8-6-11/h5-8,10H,3-4,9H2,1-2H3