4-(3-bromanyl-4-butoxy-phenyl)benzoic acid

Systemtic Name: 4-(3-bromanyl-4-butoxy-phenyl)benzoic acid Openeye Name: 4-(3-bromo-4-butoxy-phenyl)benzoic acid CAS Name: 4-(3-bromo-4-butoxyphenyl)benzoic acid IUPAC Name: 4-(3-bromo-4-butoxyphenyl)benzoic acid Traditional Name: 4-(3-bromo-4-butoxy-phenyl)benzoic acid Formula: C17H17BrO3 MolecularWeight: 349.21908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C17H17BrO3/c1-2-3-10-21-16-9-8-14(11-15(16)18)12-4-6-13(7-5-12)17(19)20/h4-9,11H,2-3,10H2,1H3,(H,19,20)