3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; diethyl-[2-[2-(2-ethyl-2-phenyl-butanoyl)oxyethoxy]ethyl]azanium

Systemtic Name: 3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; diethyl-[2-[2-(2-ethyl-2-phenyl-butanoyl)oxyethoxy]ethyl]azanium Openeye Name: 3-carboxy-3,5-dihydroxy-5-oxo-pentanoate; diethyl-[2-[2-(2-ethyl-2-phenyl-butanoyl)oxyethoxy]ethyl]ammonium CAS Name: 3-carboxy-3,5-dihydroxy-5-oxopentanoate; diethyl-[2-[2-(2-ethyl-1-oxo-2-phenylbutoxy)ethoxy]ethyl]ammonium IUPAC Name: 3-carboxy-3,5-dihydroxy-5-oxopentanoate; diethyl-[2-[2-(2-ethyl-2-phenylbutanoyl)oxyethoxy]ethyl]azanium Traditional Name: 3-carboxy-3,5-dihydroxy-5-keto-valerate; diethyl-[2-[2-(2-ethyl-2-phenyl-butanoyl)oxyethoxy]ethyl]ammonium Formula: C26H41NO10 MolecularWeight: 527.60444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=CC=C1)C(=O)OCCOCC[NH+](CC)CC.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O

Isomeric SMILES

CCC(CC)(C1=CC=CC=C1)C(=O)OCCOCC[NH+](CC)CC.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O

InChI

InChI=1S/C20H33NO3.C6H8O7/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-13H,5-8,14-17H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)