octadecyl 4-bromanyl-2-chloranyl-benzoate

Systemtic Name: octadecyl 4-bromanyl-2-chloranyl-benzoate Openeye Name: octadecyl 4-bromo-2-chloro-benzoate CAS Name: 4-bromo-2-chlorobenzoic acid octadecyl ester IUPAC Name: octadecyl 4-bromo-2-chlorobenzoate Traditional Name: 4-bromo-2-chloro-benzoic acid stearyl ester Formula: C25H40BrClO2 MolecularWeight: 487.9409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40BrClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-25(28)23-19-18-22(26)21-24(23)27/h18-19,21H,2-17,20H2,1H3