(E)-4-[(E)-octadec-9-enyl]-3-oxidanylidene-docos-13-enoic acid

Systemtic Name: (E)-4-[(E)-octadec-9-enyl]-3-oxidanylidene-docos-13-enoic acid Openeye Name: (E)-4-[(E)-octadec-9-enyl]-3-oxo-docos-13-enoic acid CAS Name: (E)-4-[(E)-octadec-9-enyl]-3-oxo-13-docosenoic acid IUPAC Name: (E)-4-[(E)-octadec-9-enyl]-3-oxodocos-13-enoic acid Traditional Name: (E)-3-keto-4-[(E)-octadec-9-enyl]docos-13-enoic acid Formula: C40H74O3 MolecularWeight: 603.01376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H74O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(39(41)37-40(42)43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38H,3-16,21-37H2,1-2H3,(H,42,43)/b19-17+,20-18+