tridecan-5-yl 4-bromanylbenzoate

Systemtic Name: tridecan-5-yl 4-bromanylbenzoate Openeye Name: 1-butylnonyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid tridecan-5-yl ester IUPAC Name: tridecan-5-yl 4-bromobenzoate Traditional Name: 4-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=C(C=C1)Br

Isomeric SMILES

CCCCCCCCC(CCCC)OC(=O)C1=CC=C(C=C1)Br

InChI

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