2-[(E)-2,6-dimethyloct-5-en-2-yl]propanedioic acid

Systemtic Name: 2-[(E)-2,6-dimethyloct-5-en-2-yl]propanedioic acid Openeye Name: 2-[(E)-1,1,5-trimethylhept-4-enyl]propanedioic acid CAS Name: 2-[(E)-2,6-dimethyloct-5-en-2-yl]propanedioic acid IUPAC Name: 2-[(E)-2,6-dimethyloct-5-en-2-yl]propanedioic acid Traditional Name: 2-[(E)-1,1,5-trimethylhept-4-enyl]malonic acid Formula: C13H22O4 MolecularWeight: 242.31138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CCCC(C)(C)C(C(=O)O)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H22O4/c1-5-9(2)7-6-8-13(3,4)10(11(14)15)12(16)17/h7,10H,5-6,8H2,1-4H3,(H,14,15)(H,16,17)/b9-7+