6-(5,5-diethyl-7-oxidanyl-heptoxy)-2,2-diethyl-hexanoic acid

Systemtic Name: 6-(5,5-diethyl-7-oxidanyl-heptoxy)-2,2-diethyl-hexanoic acid Openeye Name: 6-(5,5-diethyl-7-hydroxy-heptoxy)-2,2-diethyl-hexanoic acid CAS Name: 6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethylhexanoic acid IUPAC Name: 6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethylhexanoic acid Traditional Name: 6-(5,5-diethyl-7-hydroxy-heptoxy)-2,2-diethyl-hexanoic acid Formula: C21H42O4 MolecularWeight: 358.55578

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCCCOCCCCC(CC)(CC)C(=O)O)CCO

Isomeric SMILES

CCC(CC)(CCCCOCCCCC(CC)(CC)C(=O)O)CCO

InChI

InChI=1S/C21H42O4/c1-5-20(6-2,15-16-22)13-9-11-17-25-18-12-10-14-21(7-3,8-4)19(23)24/h22H,5-18H2,1-4H3,(H,23,24)