(E)-2-(2-oxidanylidenepropyl)-3-phenyl-but-2-enedioic acid

Systemtic Name: (E)-2-(2-oxidanylidenepropyl)-3-phenyl-but-2-enedioic acid Openeye Name: (E)-2-acetonyl-3-phenyl-but-2-enedioic acid CAS Name: (E)-2-(2-oxopropyl)-3-phenyl-2-butenedioic acid IUPAC Name: (E)-2-(2-oxopropyl)-3-phenylbut-2-enedioic acid Traditional Name: (E)-2-acetonyl-3-phenyl-but-2-enedioic acid Formula: C13H12O5 MolecularWeight: 248.23138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O5/c1-8(14)7-10(12(15)16)11(13(17)18)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,15,16)(H,17,18)/b11-10+