7-methoxy-4,4,7-trimethyl-octa-2,5-diynoic acid

Systemtic Name: 7-methoxy-4,4,7-trimethyl-octa-2,5-diynoic acid Openeye Name: 7-methoxy-4,4,7-trimethyl-octa-2,5-diynoic acid CAS Name: 7-methoxy-4,4,7-trimethylocta-2,5-diynoic acid IUPAC Name: 7-methoxy-4,4,7-trimethylocta-2,5-diynoic acid Traditional Name: 7-methoxy-4,4,7-trimethyl-octa-2,5-diynoic acid Formula: C12H16O3 MolecularWeight: 208.25364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC(=O)O)C#CC(C)(C)OC

Isomeric SMILES

CC(C)(C#CC(=O)O)C#CC(C)(C)OC

InChI

InChI=1S/C12H16O3/c1-11(2,7-6-10(13)14)8-9-12(3,4)15-5/h1-5H3,(H,13,14)