tridecan-5-yl 2-bromanylbenzoate

Systemtic Name: tridecan-5-yl 2-bromanylbenzoate Openeye Name: 1-butylnonyl 2-bromobenzoate CAS Name: 2-bromobenzoic acid tridecan-5-yl ester IUPAC Name: tridecan-5-yl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid 1-butylnonyl ester Formula: C20H31BrO2 MolecularWeight: 383.36294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCC)OC(=O)C1=CC=CC=C1Br

Isomeric SMILES

CCCCCCCCC(CCCC)OC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C20H31BrO2/c1-3-5-7-8-9-10-14-17(13-6-4-2)23-20(22)18-15-11-12-16-19(18)21/h11-12,15-17H,3-10,13-14H2,1-2H3