(E)-2-methyl-3-phenacyl-but-2-enedioic acid

Systemtic Name: (E)-2-methyl-3-phenacyl-but-2-enedioic acid Openeye Name: (E)-2-methyl-3-phenacyl-but-2-enedioic acid CAS Name: (E)-2-methyl-3-phenacyl-2-butenedioic acid IUPAC Name: (E)-2-methyl-3-phenacylbut-2-enedioic acid Traditional Name: (E)-2-methyl-3-phenacyl-but-2-enedioic acid Formula: C13H12O5 MolecularWeight: 248.23138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O5/c1-8(12(15)16)10(13(17)18)7-11(14)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,15,16)(H,17,18)/b10-8+