2-[(E)-octadec-9-en-2-yl]propanedioic acid

Systemtic Name: 2-[(E)-octadec-9-en-2-yl]propanedioic acid Openeye Name: 2-[(E)-1-methylheptadec-8-enyl]propanedioic acid CAS Name: 2-[(E)-octadec-9-en-2-yl]propanedioic acid IUPAC Name: 2-[(E)-octadec-9-en-2-yl]propanedioic acid Traditional Name: 2-[(E)-1-methylheptadec-8-enyl]malonic acid Formula: C21H38O4 MolecularWeight: 354.52402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(C)C(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCC(C)C(C(=O)O)C(=O)O

InChI

InChI=1S/C21H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20(22)23)21(24)25/h10-11,18-19H,3-9,12-17H2,1-2H3,(H,22,23)(H,24,25)/b11-10+