2-ethylhexyl (Z)-docos-13-enoate

Systemtic Name: 2-ethylhexyl (Z)-docos-13-enoate Openeye Name: 2-ethylhexyl (Z)-docos-13-enoate CAS Name: (Z)-13-docosenoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl (Z)-docos-13-enoate Traditional Name: (Z)-docos-13-enoic acid 2-ethylhexyl ester Formula: C30H58O2 MolecularWeight: 450.78032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC(CC)CCCC

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(CC)CCCC

InChI

InChI=1S/C30H58O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-30(31)32-28-29(6-3)26-8-5-2/h14-15,29H,4-13,16-28H2,1-3H3/b15-14-