ethane-1,2-diol; 4-methyl-1-(4-oxidanidyl-4-oxidanylidene-butyl)cyclohexane-1-carboxylate

Systemtic Name: ethane-1,2-diol; 4-methyl-1-(4-oxidanidyl-4-oxidanylidene-butyl)cyclohexane-1-carboxylate Openeye Name: ethylene glycol; 4-methyl-1-(4-oxido-4-oxo-butyl)cyclohexanecarboxylate CAS Name: ethane-1,2-diol; 4-methyl-1-(4-oxido-4-oxobutyl)-1-cyclohexanecarboxylate IUPAC Name: ethane-1,2-diol; 4-methyl-1-(4-oxido-4-oxobutyl)cyclohexane-1-carboxylate Traditional Name: ethylene glycol; 1-(4-keto-4-oxido-butyl)-4-methyl-cyclohexanecarboxylate Formula: C14H24O6-2 MolecularWeight: 288.33676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(CCCC(=O)[O-])C(=O)[O-].C(CO)O

Isomeric SMILES

CC1CCC(CC1)(CCCC(=O)[O-])C(=O)[O-].C(CO)O

InChI

InChI=1S/C12H20O4.C2H6O2/c1-9-4-7-12(8-5-9,11(15)16)6-2-3-10(13)14;3-1-2-4/h9H,2-8H2,1H3,(H,13,14)(H,15,16);3-4H,1-2H2/p-2