2-[(E)-6,6-dimethylhept-2-en-4-ynyl]propanedioic acid

Systemtic Name: 2-[(E)-6,6-dimethylhept-2-en-4-ynyl]propanedioic acid Openeye Name: 2-[(E)-6,6-dimethylhept-2-en-4-ynyl]propanedioic acid CAS Name: 2-[(E)-6,6-dimethylhept-2-en-4-ynyl]propanedioic acid IUPAC Name: 2-[(E)-6,6-dimethylhept-2-en-4-ynyl]propanedioic acid Traditional Name: 2-[(E)-6,6-dimethylhept-2-en-4-ynyl]malonic acid Formula: C12H16O4 MolecularWeight: 224.25304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C#C/C=C/CC(C(=O)O)C(=O)O

InChI

InChI=1S/C12H16O4/c1-12(2,3)8-6-4-5-7-9(10(13)14)11(15)16/h4-5,9H,7H2,1-3H3,(H,13,14)(H,15,16)/b5-4+