octadecyl 2-bromanylbenzoate

Systemtic Name: octadecyl 2-bromanylbenzoate Openeye Name: octadecyl 2-bromobenzoate CAS Name: 2-bromobenzoic acid octadecyl ester IUPAC Name: octadecyl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid stearyl ester Formula: C25H41BrO2 MolecularWeight: 453.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C25H41BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-25(27)23-20-17-18-21-24(23)26/h17-18,20-21H,2-16,19,22H2,1H3