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

Systemtic Name: 2-[(E)-octadec-1-enyl]pentanedioic acid Openeye Name: 2-[(E)-octadec-1-enyl]pentanedioic acid CAS Name: 2-[(E)-octadec-1-enyl]pentanedioic acid IUPAC Name: 2-[(E)-octadec-1-enyl]pentanedioic acid Traditional Name: 2-[(E)-octadec-1-enyl]glutaric acid Formula: C23H42O4 MolecularWeight: 382.57718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C23H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23(26)27)19-20-22(24)25/h17-18,21H,2-16,19-20H2,1H3,(H,24,25)(H,26,27)/b18-17+