tridecan-3-yl 3-bromanylbenzoate

Systemtic Name: tridecan-3-yl 3-bromanylbenzoate Openeye Name: 1-ethylundecyl 3-bromobenzoate CAS Name: 3-bromobenzoic acid tridecan-3-yl ester IUPAC Name: tridecan-3-yl 3-bromobenzoate Traditional Name: 3-bromobenzoic acid 1-ethylundecyl ester Formula: C20H31BrO2 MolecularWeight: 383.36294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31BrO2/c1-3-5-6-7-8-9-10-11-15-19(4-2)23-20(22)17-13-12-14-18(21)16-17/h12-14,16,19H,3-11,15H2,1-2H3