(3E)-2-(3-methylbut-2-enyl)-3-(2-oxidanylideneethylidene)pentanedioic acid

Systemtic Name: (3E)-2-(3-methylbut-2-enyl)-3-(2-oxidanylideneethylidene)pentanedioic acid Openeye Name: (3E)-2-(3-methylbut-2-enyl)-3-(2-oxoethylidene)pentanedioic acid CAS Name: (3E)-2-(3-methylbut-2-enyl)-3-(2-oxoethylidene)pentanedioic acid IUPAC Name: (3E)-2-(3-methylbut-2-enyl)-3-(2-oxoethylidene)pentanedioic acid Traditional Name: (3E)-3-(2-ketoethylidene)-2-(3-methylbut-2-enyl)glutaric acid Formula: C12H16O5 MolecularWeight: 240.25244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(C(=CC=O)CC(=O)O)C(=O)O)C

Isomeric SMILES

CC(=CCC(/C(=C/C=O)/CC(=O)O)C(=O)O)C

InChI

InChI=1S/C12H16O5/c1-8(2)3-4-10(12(16)17)9(5-6-13)7-11(14)15/h3,5-6,10H,4,7H2,1-2H3,(H,14,15)(H,16,17)/b9-5+