2-[(E)-docos-1-enyl]pentanedioic acid

Systemtic Name: 2-[(E)-docos-1-enyl]pentanedioic acid Openeye Name: 2-[(E)-docos-1-enyl]pentanedioic acid CAS Name: 2-[(E)-docos-1-enyl]pentanedioic acid IUPAC Name: 2-[(E)-docos-1-enyl]pentanedioic acid Traditional Name: 2-[(E)-docos-1-enyl]glutaric acid Formula: C27H50O4 MolecularWeight: 438.6835

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC/C=C/C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C27H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(27(30)31)23-24-26(28)29/h21-22,25H,2-20,23-24H2,1H3,(H,28,29)(H,30,31)/b22-21+