phenyl 3-(bromomethyl)-4-butyl-benzoate

Systemtic Name: phenyl 3-(bromomethyl)-4-butyl-benzoate Openeye Name: phenyl 3-(bromomethyl)-4-butyl-benzoate CAS Name: 3-(bromomethyl)-4-butylbenzoic acid phenyl ester IUPAC Name: phenyl 3-(bromomethyl)-4-butylbenzoate Traditional Name: 3-(bromomethyl)-4-butyl-benzoic acid phenyl ester Formula: C18H19BrO2 MolecularWeight: 347.24626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2)CBr

Isomeric SMILES

CCCCC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2)CBr

InChI

InChI=1S/C18H19BrO2/c1-2-3-7-14-10-11-15(12-16(14)13-19)18(20)21-17-8-5-4-6-9-17/h4-6,8-12H,2-3,7,13H2,1H3