2-ethylhexyl 5-[8-(2-ethylhexoxy)-8-oxidanylidene-octyl]-2-hexyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: 2-ethylhexyl 5-[8-(2-ethylhexoxy)-8-oxidanylidene-octyl]-2-hexyl-cyclohex-3-ene-1-carboxylate Openeye Name: 2-ethylhexyl 5-[8-(2-ethylhexoxy)-8-oxo-octyl]-2-hexyl-cyclohex-3-ene-1-carboxylate CAS Name: 5-[8-(2-ethylhexoxy)-8-oxooctyl]-2-hexyl-1-cyclohex-3-enecarboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 5-[8-(2-ethylhexoxy)-8-oxooctyl]-2-hexylcyclohex-3-ene-1-carboxylate Traditional Name: 5-[8-(2-ethylhexoxy)-8-keto-octyl]-2-hexyl-cyclohex-3-ene-1-carboxylic acid 2-ethylhexyl ester Formula: C37H68O4 MolecularWeight: 576.93342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C=CC(CC1C(=O)OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC

Isomeric SMILES

CCCCCCC1C=CC(CC1C(=O)OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC

InChI

InChI=1S/C37H68O4/c1-6-11-14-19-24-34-27-26-33(28-35(34)37(39)41-30-32(10-5)22-13-8-3)23-18-16-15-17-20-25-36(38)40-29-31(9-4)21-12-7-2/h26-27,31-35H,6-25,28-30H2,1-5H3