6-bromanylhexyl 4-(4-methoxyphenyl)butanoate

Systemtic Name: 6-bromanylhexyl 4-(4-methoxyphenyl)butanoate Openeye Name: 6-bromohexyl 4-(4-methoxyphenyl)butanoate CAS Name: 4-(4-methoxyphenyl)butanoic acid 6-bromohexyl ester IUPAC Name: 6-bromohexyl 4-(4-methoxyphenyl)butanoate Traditional Name: 4-(4-methoxyphenyl)butyric acid 6-bromohexyl ester Formula: C17H25BrO3 MolecularWeight: 357.2826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCC(=O)OCCCCCCBr

Isomeric SMILES

COC1=CC=C(C=C1)CCCC(=O)OCCCCCCBr

InChI

InChI=1S/C17H25BrO3/c1-20-16-11-9-15(10-12-16)7-6-8-17(19)21-14-5-3-2-4-13-18/h9-12H,2-8,13-14H2,1H3