2-[2-[(E)-but-1-enyl]-3-oxidanylidene-cyclopentyl]propanedioic acid

Systemtic Name: 2-[2-[(E)-but-1-enyl]-3-oxidanylidene-cyclopentyl]propanedioic acid Openeye Name: 2-[2-[(E)-but-1-enyl]-3-oxo-cyclopentyl]propanedioic acid CAS Name: 2-[2-[(E)-but-1-enyl]-3-oxocyclopentyl]propanedioic acid IUPAC Name: 2-[2-[(E)-but-1-enyl]-3-oxocyclopentyl]propanedioic acid Traditional Name: 2-[2-[(E)-but-1-enyl]-3-keto-cyclopentyl]malonic acid Formula: C12H16O5 MolecularWeight: 240.25244

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1C(CCC1=O)C(C(=O)O)C(=O)O

Isomeric SMILES

CC/C=C/C1C(CCC1=O)C(C(=O)O)C(=O)O

InChI

InChI=1S/C12H16O5/c1-2-3-4-7-8(5-6-9(7)13)10(11(14)15)12(16)17/h3-4,7-8,10H,2,5-6H2,1H3,(H,14,15)(H,16,17)/b4-3+