2-[(E)-octadec-9-enoyl]butanedioic acid

Systemtic Name: 2-[(E)-octadec-9-enoyl]butanedioic acid Openeye Name: 2-[(E)-octadec-9-enoyl]butanedioic acid CAS Name: 2-[(E)-1-oxooctadec-9-enyl]butanedioic acid IUPAC Name: 2-[(E)-octadec-9-enoyl]butanedioic acid Traditional Name: 2-[(E)-octadec-9-enoyl]succinic acid Formula: C22H38O5 MolecularWeight: 382.53412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C22H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(22(26)27)18-21(24)25/h9-10,19H,2-8,11-18H2,1H3,(H,24,25)(H,26,27)/b10-9+