2-[(E)-4-phenylbut-3-en-2-ylidene]propanedioic acid

Systemtic Name: 2-[(E)-4-phenylbut-3-en-2-ylidene]propanedioic acid Openeye Name: 2-[(E)-1-methyl-3-phenyl-prop-2-enylidene]propanedioic acid CAS Name: 2-[(E)-4-phenylbut-3-en-2-ylidene]propanedioic acid IUPAC Name: 2-[(E)-4-phenylbut-3-en-2-ylidene]propanedioic acid Traditional Name: 2-[(E)-1-methyl-3-phenyl-prop-2-enylidene]malonic acid Formula: C13H12O4 MolecularWeight: 232.23198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O4/c1-9(11(12(14)15)13(16)17)7-8-10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15)(H,16,17)/b8-7+