tridecyl 4-bromanylbenzoate

Systemtic Name: tridecyl 4-bromanylbenzoate Openeye Name: tridecyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid tridecyl ester IUPAC Name: tridecyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid tridecyl ester Formula: C20H31BrO2 MolecularWeight: 383.36294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)Br

InChI

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