2,9-bis[(E)-icos-11-enyl]decanedioic acid

Systemtic Name: 2,9-bis[(E)-icos-11-enyl]decanedioic acid Openeye Name: 2,9-bis[(E)-icos-11-enyl]decanedioic acid CAS Name: 2,9-bis[(E)-eicos-11-enyl]decanedioic acid IUPAC Name: 2,9-bis[(E)-icos-11-enyl]decanedioic acid Traditional Name: 2,9-bis[(E)-eicos-11-enyl]sebacic acid Formula: C50H94O4 MolecularWeight: 759.27896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCC(CCCCCCC(CCCCCCCCCCC=CCCCCCCCC)C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C50H94O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-43-47(49(51)52)45-41-37-38-42-46-48(50(53)54)44-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,47-48H,3-16,21-46H2,1-2H3,(H,51,52)(H,53,54)/b19-17+,20-18+