sodium 4-carboxy-2-[3-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-3-oxidanylidene-propyl]hexanoate

Systemtic Name: sodium 4-carboxy-2-[3-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-3-oxidanylidene-propyl]hexanoate Openeye Name: sodium 4-carboxy-2-[3-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-3-oxo-propyl]hexanoate CAS Name: sodium 4-carboxy-2-[3-[2-(2,2-dimethyl-1-oxobutoxy)ethoxy]-2,2-dimethyl-3-oxopropyl]hexanoate IUPAC Name: sodium 4-carboxy-2-[3-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,2-dimethyl-3-oxopropyl]hexanoate Traditional Name: sodium 4-carboxy-2-[3-[2-(2,2-dimethylbutanoyloxy)ethoxy]-3-keto-2,2-dimethyl-propyl]hexanoate Formula: C20H33NaO8 MolecularWeight: 424.46099

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)(C)C(=O)OCCOC(=O)C(C)(C)CC)C(=O)[O-])C(=O)O.[Na+]

Isomeric SMILES

CCC(CC(CC(C)(C)C(=O)OCCOC(=O)C(C)(C)CC)C(=O)[O-])C(=O)O.[Na+]

InChI

InChI=1S/C20H34O8.Na/c1-7-13(15(21)22)11-14(16(23)24)12-20(5,6)18(26)28-10-9-27-17(25)19(3,4)8-2;/h13-14H,7-12H2,1-6H3,(H,21,22)(H,23,24);/q;+1/p-1