pentadecan-2-yl 3-bromanylbenzoate

Systemtic Name: pentadecan-2-yl 3-bromanylbenzoate Openeye Name: 1-methyltetradecyl 3-bromobenzoate CAS Name: 3-bromobenzoic acid pentadecan-2-yl ester IUPAC Name: pentadecan-2-yl 3-bromobenzoate Traditional Name: 3-bromobenzoic acid 1-methyltetradecyl ester Formula: C22H35BrO2 MolecularWeight: 411.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C)OC(=O)C1=CC(=CC=C1)Br

Isomeric SMILES

CCCCCCCCCCCCCC(C)OC(=O)C1=CC(=CC=C1)Br

InChI

InChI=1S/C22H35BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-15-19(2)25-22(24)20-16-14-17-21(23)18-20/h14,16-19H,3-13,15H2,1-2H3