3-(bromomethyl)-5-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 3-(bromomethyl)-5-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 3-(bromomethyl)-5-[(E)-3-ethoxy-3-oxo-prop-1-enyl]benzoic acid CAS Name: 3-(bromomethyl)-5-[(E)-3-ethoxy-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 3-(bromomethyl)-5-[(E)-3-ethoxy-3-oxoprop-1-enyl]benzoic acid Traditional Name: 3-(bromomethyl)-5-[(E)-3-ethoxy-3-keto-prop-1-enyl]benzoic acid Formula: C13H13BrO4 MolecularWeight: 313.14392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC(=CC(=C1)CBr)C(=O)O

Isomeric SMILES

CCOC(=O)/C=C/C1=CC(=CC(=C1)CBr)C(=O)O

InChI

InChI=1S/C13H13BrO4/c1-2-18-12(15)4-3-9-5-10(8-14)7-11(6-9)13(16)17/h3-7H,2,8H2,1H3,(H,16,17)/b4-3+