3-bromanyl-4-octan-2-yloxy-benzoic acid

Systemtic Name: 3-bromanyl-4-octan-2-yloxy-benzoic acid Openeye Name: 3-bromo-4-(1-methylheptoxy)benzoic acid CAS Name: 3-bromo-4-octan-2-yloxybenzoic acid IUPAC Name: 3-bromo-4-octan-2-yloxybenzoic acid Traditional Name: 3-bromo-4-(1-methylheptoxy)benzoic acid Formula: C15H21BrO3 MolecularWeight: 329.22944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21BrO3/c1-3-4-5-6-7-11(2)19-14-9-8-12(15(17)18)10-13(14)16/h8-11H,3-7H2,1-2H3,(H,17,18)