methyl 4-[4-(8-bromanyloctoxy)phenyl]benzoate

Systemtic Name: methyl 4-[4-(8-bromanyloctoxy)phenyl]benzoate Openeye Name: methyl 4-[4-(8-bromooctoxy)phenyl]benzoate CAS Name: 4-[4-(8-bromooctoxy)phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(8-bromooctoxy)phenyl]benzoate Traditional Name: 4-[4-(8-bromooctoxy)phenyl]benzoic acid methyl ester Formula: C22H27BrO3 MolecularWeight: 419.35198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCCCBr

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCCCBr

InChI

InChI=1S/C22H27BrO3/c1-25-22(24)20-10-8-18(9-11-20)19-12-14-21(15-13-19)26-17-7-5-3-2-4-6-16-23/h8-15H,2-7,16-17H2,1H3