2-[(4-oxidanyl-3-prop-2-enyl-phenyl)methylidene]propanedioic acid

Systemtic Name: 2-[(4-oxidanyl-3-prop-2-enyl-phenyl)methylidene]propanedioic acid Openeye Name: 2-[(3-allyl-4-hydroxy-phenyl)methylene]propanedioic acid CAS Name: 2-[(4-hydroxy-3-prop-2-enylphenyl)methylidene]propanedioic acid IUPAC Name: 2-[(4-hydroxy-3-prop-2-enylphenyl)methylidene]propanedioic acid Traditional Name: 2-(3-allyl-4-hydroxy-benzylidene)malonic acid Formula: C13H12O5 MolecularWeight: 248.23138

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=CC(=C1)C=C(C(=O)O)C(=O)O)O

Isomeric SMILES

C=CCC1=C(C=CC(=C1)C=C(C(=O)O)C(=O)O)O

InChI

InChI=1S/C13H12O5/c1-2-3-9-6-8(4-5-11(9)14)7-10(12(15)16)13(17)18/h2,4-7,14H,1,3H2,(H,15,16)(H,17,18)