(Z)-5-ethyl-3-(2-ethylhexoxycarbonyl)-2-(2-ethylhexyl)non-2-enoic acid

Systemtic Name: (Z)-5-ethyl-3-(2-ethylhexoxycarbonyl)-2-(2-ethylhexyl)non-2-enoic acid Openeye Name: (Z)-5-ethyl-3-(2-ethylhexoxycarbonyl)-2-(2-ethylhexyl)non-2-enoic acid CAS Name: (Z)-5-ethyl-3-[2-ethylhexoxy(oxo)methyl]-2-(2-ethylhexyl)-2-nonenoic acid IUPAC Name: (Z)-5-ethyl-3-(2-ethylhexoxycarbonyl)-2-(2-ethylhexyl)non-2-enoic acid Traditional Name: (Z)-5-ethyl-3-(2-ethylhexoxycarbonyl)-2-(2-ethylhexyl)non-2-enoic acid Formula: C28H52O4 MolecularWeight: 452.71008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(=C(CC(CC)CCCC)C(=O)OCC(CC)CCCC)C(=O)O

Isomeric SMILES

CCCCC(CC)C/C(=C(\CC(CC)CCCC)/C(=O)OCC(CC)CCCC)/C(=O)O

InChI

InChI=1S/C28H52O4/c1-7-13-16-22(10-4)19-25(27(29)30)26(20-23(11-5)17-14-8-2)28(31)32-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3,(H,29,30)/b26-25-