sodium 3-carboxy-2-[[4-(2,2-dimethylbutanoyloxy)-2-oxidanylidene-3-propan-2-yl-oxolan-3-yl]methyl]pentanoate

Systemtic Name: sodium 3-carboxy-2-[[4-(2,2-dimethylbutanoyloxy)-2-oxidanylidene-3-propan-2-yl-oxolan-3-yl]methyl]pentanoate Openeye Name: sodium 3-carboxy-2-[[4-(2,2-dimethylbutanoyloxy)-3-isopropyl-2-oxo-tetrahydrofuran-3-yl]methyl]pentanoate CAS Name: sodium 3-carboxy-2-[[4-(2,2-dimethyl-1-oxobutoxy)-2-oxo-3-propan-2-yl-3-oxolanyl]methyl]pentanoate IUPAC Name: sodium 3-carboxy-2-[[4-(2,2-dimethylbutanoyloxy)-2-oxo-3-propan-2-yloxolan-3-yl]methyl]pentanoate Traditional Name: sodium 3-carboxy-2-[[4-(2,2-dimethylbutanoyloxy)-3-isopropyl-2-keto-tetrahydrofuran-3-yl]methyl]valerate Formula: C20H31NaO8 MolecularWeight: 422.44511

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC1(C(COC1=O)OC(=O)C(C)(C)CC)C(C)C)C(=O)[O-])C(=O)O.[Na+]

Isomeric SMILES

CCC(C(CC1(C(COC1=O)OC(=O)C(C)(C)CC)C(C)C)C(=O)[O-])C(=O)O.[Na+]

InChI

InChI=1S/C20H32O8.Na/c1-7-12(15(21)22)13(16(23)24)9-20(11(3)4)14(10-27-18(20)26)28-17(25)19(5,6)8-2;/h11-14H,7-10H2,1-6H3,(H,21,22)(H,23,24);/q;+1/p-1