(2E)-5-(2-ethylhexoxycarbonyl)-2-methyl-hexa-2,5-dienoic acid

Systemtic Name: (2E)-5-(2-ethylhexoxycarbonyl)-2-methyl-hexa-2,5-dienoic acid Openeye Name: (2E)-5-(2-ethylhexoxycarbonyl)-2-methyl-hexa-2,5-dienoic acid CAS Name: (2E)-5-[2-ethylhexoxy(oxo)methyl]-2-methylhexa-2,5-dienoic acid IUPAC Name: (2E)-5-(2-ethylhexoxycarbonyl)-2-methylhexa-2,5-dienoic acid Traditional Name: (2E)-5-(2-ethylhexoxycarbonyl)-2-methyl-hexa-2,5-dienoic acid Formula: C16H26O4 MolecularWeight: 282.37524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C(=C)CC=C(C)C(=O)O

Isomeric SMILES

CCCCC(CC)COC(=O)C(=C)C/C=C(\C)/C(=O)O

InChI

InChI=1S/C16H26O4/c1-5-7-8-14(6-2)11-20-16(19)13(4)10-9-12(3)15(17)18/h9,14H,4-8,10-11H2,1-3H3,(H,17,18)/b12-9+