2-[(E)-oct-2-enyl]pentanedioic acid

Systemtic Name: 2-[(E)-oct-2-enyl]pentanedioic acid Openeye Name: 2-[(E)-oct-2-enyl]pentanedioic acid CAS Name: 2-[(E)-oct-2-enyl]pentanedioic acid IUPAC Name: 2-[(E)-oct-2-enyl]pentanedioic acid Traditional Name: 2-[(E)-oct-2-enyl]glutaric acid Formula: C13H22O4 MolecularWeight: 242.31138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(CCC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H22O4/c1-2-3-4-5-6-7-8-11(13(16)17)9-10-12(14)15/h6-7,11H,2-5,8-10H2,1H3,(H,14,15)(H,16,17)/b7-6+