4-(3-bromanyl-4-octan-2-yloxy-phenyl)benzoic acid

Systemtic Name: 4-(3-bromanyl-4-octan-2-yloxy-phenyl)benzoic acid Openeye Name: 4-[3-bromo-4-(1-methylheptoxy)phenyl]benzoic acid CAS Name: 4-(3-bromo-4-octan-2-yloxyphenyl)benzoic acid IUPAC Name: 4-(3-bromo-4-octan-2-yloxyphenyl)benzoic acid Traditional Name: 4-[3-bromo-4-(1-methylheptoxy)phenyl]benzoic acid Formula: C21H25BrO3 MolecularWeight: 405.3254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)Br

Isomeric SMILES

CCCCCCC(C)OC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C21H25BrO3/c1-3-4-5-6-7-15(2)25-20-13-12-18(14-19(20)22)16-8-10-17(11-9-16)21(23)24/h8-15H,3-7H2,1-2H3,(H,23,24)