2-[(E)-4-ethylhex-1-enyl]butanedioic acid

Systemtic Name: 2-[(E)-4-ethylhex-1-enyl]butanedioic acid Openeye Name: 2-[(E)-4-ethylhex-1-enyl]butanedioic acid CAS Name: 2-[(E)-4-ethylhex-1-enyl]butanedioic acid IUPAC Name: 2-[(E)-4-ethylhex-1-enyl]butanedioic acid Traditional Name: 2-[(E)-4-ethylhex-1-enyl]succinic acid Formula: C12H20O4 MolecularWeight: 228.2848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20O4/c1-3-9(4-2)6-5-7-10(12(15)16)8-11(13)14/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,13,14)(H,15,16)/b7-5+