3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; (1-ethoxy-5,5-dimethyl-1-oxidanylidene-hexan-2-yl)-diethyl-azanium

Systemtic Name: 3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; (1-ethoxy-5,5-dimethyl-1-oxidanylidene-hexan-2-yl)-diethyl-azanium Openeye Name: 3-carboxy-3,5-dihydroxy-5-oxo-pentanoate; (1-ethoxycarbonyl-4,4-dimethyl-pentyl)-diethyl-ammonium CAS Name: 3-carboxy-3,5-dihydroxy-5-oxopentanoate; (1-ethoxy-5,5-dimethyl-1-oxohexan-2-yl)-diethylammonium IUPAC Name: 3-carboxy-3,5-dihydroxy-5-oxopentanoate; (1-ethoxy-5,5-dimethyl-1-oxohexan-2-yl)-diethylazanium Traditional Name: (1-carbethoxy-4,4-dimethyl-pentyl)-diethyl-ammonium; 3-carboxy-3,5-dihydroxy-5-keto-valerate Formula: C20H37NO9 MolecularWeight: 435.50908

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CCC(C)(C)C)C(=O)OCC.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O

Isomeric SMILES

CC[NH+](CC)C(CCC(C)(C)C)C(=O)OCC.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O

InChI

InChI=1S/C14H29NO2.C6H8O7/c1-7-15(8-2)12(13(16)17-9-3)10-11-14(4,5)6;7-3(8)1-6(13,5(11)12)2-4(9)10/h12H,7-11H2,1-6H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)