2-[(4-hexoxyphenyl)methylidene]propanedioic acid

Systemtic Name: 2-[(4-hexoxyphenyl)methylidene]propanedioic acid Openeye Name: 2-[(4-hexoxyphenyl)methylene]propanedioic acid CAS Name: 2-[(4-hexoxyphenyl)methylidene]propanedioic acid IUPAC Name: 2-[(4-hexoxyphenyl)methylidene]propanedioic acid Traditional Name: 2-(4-hexoxybenzylidene)malonic acid Formula: C16H20O5 MolecularWeight: 292.327

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C=C(C(=O)O)C(=O)O

InChI

InChI=1S/C16H20O5/c1-2-3-4-5-10-21-13-8-6-12(7-9-13)11-14(15(17)18)16(19)20/h6-9,11H,2-5,10H2,1H3,(H,17,18)(H,19,20)