(E)-3-[4-bromanyl-2-(2,6-dimethylphenoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-bromanyl-2-(2,6-dimethylphenoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-bromo-2-(2,6-dimethylphenoxy)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-bromo-2-(2,6-dimethylphenoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-bromo-2-(2,6-dimethylphenoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-bromo-2-(2,6-dimethylphenoxy)phenyl]acrylic acid Formula: C17H15BrO3 MolecularWeight: 347.2032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=C(C=CC(=C2)Br)C=CC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=C(C=CC(=C2)Br)/C=C/C(=O)O

InChI

InChI=1S/C17H15BrO3/c1-11-4-3-5-12(2)17(11)21-15-10-14(18)8-6-13(15)7-9-16(19)20/h3-10H,1-2H3,(H,19,20)/b9-7+