4-[4-(4-bromanyloctoxy)phenyl]benzoic acid

Systemtic Name: 4-[4-(4-bromanyloctoxy)phenyl]benzoic acid Openeye Name: 4-[4-(4-bromooctoxy)phenyl]benzoic acid CAS Name: 4-[4-(4-bromooctoxy)phenyl]benzoic acid IUPAC Name: 4-[4-(4-bromooctoxy)phenyl]benzoic acid Traditional Name: 4-[4-(4-bromooctoxy)phenyl]benzoic acid Formula: C21H25BrO3 MolecularWeight: 405.3254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O)Br

Isomeric SMILES

CCCCC(CCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C21H25BrO3/c1-2-3-5-19(22)6-4-15-25-20-13-11-17(12-14-20)16-7-9-18(10-8-16)21(23)24/h7-14,19H,2-6,15H2,1H3,(H,23,24)