tridecan-2-yl 4-bromanylbenzoate

Systemtic Name: tridecan-2-yl 4-bromanylbenzoate Openeye Name: 1-methyldodecyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid tridecan-2-yl ester IUPAC Name: tridecan-2-yl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 1-methyldodecyl ester Formula: C20H31BrO2 MolecularWeight: 383.36294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31BrO2/c1-3-4-5-6-7-8-9-10-11-12-17(2)23-20(22)18-13-15-19(21)16-14-18/h13-17H,3-12H2,1-2H3