(2E)-2-[(3-butoxyphenyl)methylidene]-3-oxidanylidene-butanoic acid

Systemtic Name: (2E)-2-[(3-butoxyphenyl)methylidene]-3-oxidanylidene-butanoic acid Openeye Name: (2E)-2-[(3-butoxyphenyl)methylene]-3-oxo-butanoic acid CAS Name: (2E)-2-[(3-butoxyphenyl)methylidene]-3-oxobutanoic acid IUPAC Name: (2E)-2-[(3-butoxyphenyl)methylidene]-3-oxobutanoic acid Traditional Name: (E)-2-acetyl-3-(3-butoxyphenyl)acrylic acid Formula: C15H18O4 MolecularWeight: 262.30102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C=C(C(=O)C)C(=O)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)/C=C(\C(=O)C)/C(=O)O

InChI

InChI=1S/C15H18O4/c1-3-4-8-19-13-7-5-6-12(9-13)10-14(11(2)16)15(17)18/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,18)/b14-10+