2-[(E)-hept-1-enyl]-2-methyl-butanedioic acid

Systemtic Name: 2-[(E)-hept-1-enyl]-2-methyl-butanedioic acid Openeye Name: 2-[(E)-hept-1-enyl]-2-methyl-butanedioic acid CAS Name: 2-[(E)-hept-1-enyl]-2-methylbutanedioic acid IUPAC Name: 2-[(E)-hept-1-enyl]-2-methylbutanedioic acid Traditional Name: 2-[(E)-hept-1-enyl]-2-methyl-succinic acid Formula: C12H20O4 MolecularWeight: 228.2848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(C)(CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H20O4/c1-3-4-5-6-7-8-12(2,11(15)16)9-10(13)14/h7-8H,3-6,9H2,1-2H3,(H,13,14)(H,15,16)/b8-7+