(2E)-2-[(4-bromanyl-3-methyl-phenyl)methylidene]butanoic acid

Systemtic Name: (2E)-2-[(4-bromanyl-3-methyl-phenyl)methylidene]butanoic acid Openeye Name: (2E)-2-[(4-bromo-3-methyl-phenyl)methylene]butanoic acid CAS Name: (2E)-2-[(4-bromo-3-methylphenyl)methylidene]butanoic acid IUPAC Name: (2E)-2-[(4-bromo-3-methylphenyl)methylidene]butanoic acid Traditional Name: (E)-3-(4-bromo-3-methyl-phenyl)-2-ethyl-acrylic acid Formula: C12H13BrO2 MolecularWeight: 269.13442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC(=C(C=C1)Br)C)C(=O)O

Isomeric SMILES

CC/C(=C\C1=CC(=C(C=C1)Br)C)/C(=O)O

InChI

InChI=1S/C12H13BrO2/c1-3-10(12(14)15)7-9-4-5-11(13)8(2)6-9/h4-7H,3H2,1-2H3,(H,14,15)/b10-7+