5-(2-ethylhexoxy)-3-(2-ethylhexoxycarbonyl)-3-oxidanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(2-ethylhexoxy)-3-(2-ethylhexoxycarbonyl)-3-oxidanyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-ethylhexoxy)-3-(2-ethylhexoxycarbonyl)-3-hydroxy-5-oxo-pentanoic acid CAS Name: 5-(2-ethylhexoxy)-3-[2-ethylhexoxy(oxo)methyl]-3-hydroxy-5-oxopentanoic acid IUPAC Name: 5-(2-ethylhexoxy)-3-(2-ethylhexoxycarbonyl)-3-hydroxy-5-oxopentanoic acid Traditional Name: 5-(2-ethylhexoxy)-3-(2-ethylhexoxycarbonyl)-3-hydroxy-5-keto-valeric acid Formula: C22H40O7 MolecularWeight: 416.5488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H40O7/c1-5-9-11-17(7-3)15-28-20(25)14-22(27,13-19(23)24)21(26)29-16-18(8-4)12-10-6-2/h17-18,27H,5-16H2,1-4H3,(H,23,24)