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

Systemtic Name: 2-[(E)-octadec-9-enoyl]decanedioic acid Openeye Name: 2-[(E)-octadec-9-enoyl]decanedioic acid CAS Name: 2-[(E)-1-oxooctadec-9-enyl]decanedioic acid IUPAC Name: 2-[(E)-octadec-9-enoyl]decanedioic acid Traditional Name: 2-[(E)-octadec-9-enoyl]sebacic acid Formula: C28H50O5 MolecularWeight: 466.6936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H50O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-26(29)25(28(32)33)22-19-16-15-18-21-24-27(30)31/h9-10,25H,2-8,11-24H2,1H3,(H,30,31)(H,32,33)/b10-9+