octadecyl 4-bromanylbenzoate

Systemtic Name: octadecyl 4-bromanylbenzoate Openeye Name: octadecyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid octadecyl ester IUPAC Name: octadecyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid stearyl ester Formula: C25H41BrO2 MolecularWeight: 453.49584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-25(27)23-18-20-24(26)21-19-23/h18-21H,2-17,22H2,1H3