4-[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]benzoic acid

Systemtic Name: 4-[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]benzoic acid Openeye Name: 4-[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-4-ethoxy-4-oxobut-2-en-2-yl]benzoic acid IUPAC Name: 4-[(E)-4-ethoxy-4-oxobut-2-en-2-yl]benzoic acid Traditional Name: 4-[(E)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]benzoic acid Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O4/c1-3-17-12(14)8-9(2)10-4-6-11(7-5-10)13(15)16/h4-8H,3H2,1-2H3,(H,15,16)/b9-8+