pentadecan-5-yl 3-bromanylbenzoate

Systemtic Name: pentadecan-5-yl 3-bromanylbenzoate Openeye Name: 1-butylundecyl 3-bromobenzoate CAS Name: 3-bromobenzoic acid pentadecan-5-yl ester IUPAC Name: pentadecan-5-yl 3-bromobenzoate Traditional Name: 3-bromobenzoic acid 1-butylundecyl ester Formula: C22H35BrO2 MolecularWeight: 411.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCC)OC(=O)C1=CC(=CC=C1)Br

Isomeric SMILES

CCCCCCCCCCC(CCCC)OC(=O)C1=CC(=CC=C1)Br

InChI

InChI=1S/C22H35BrO2/c1-3-5-7-8-9-10-11-12-17-21(16-6-4-2)25-22(24)19-14-13-15-20(23)18-19/h13-15,18,21H,3-12,16-17H2,1-2H3