sodium 4-[[2-[1,3-bis(oxidanylidene)-1,3-di(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-4-yl]oxy]-4-oxidanylidene-butanoate

Systemtic Name: sodium 4-[[2-[1,3-bis(oxidanylidene)-1,3-di(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-4-yl]oxy]-4-oxidanylidene-butanoate Openeye Name: sodium 4-[[2-(2-isopropoxy-1-isopropoxycarbonyl-2-oxo-ethylidene)-1,3-dithiolan-4-yl]oxy]-4-oxo-butanoate CAS Name: sodium 4-[[2-[1,3-dioxo-1,3-di(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-4-yl]oxy]-4-oxobutanoate IUPAC Name: sodium 4-[[2-[1,3-dioxo-1,3-di(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-4-yl]oxy]-4-oxobutanoate Traditional Name: sodium 4-[[2-(2-isopropoxy-1-isopropoxycarbonyl-2-keto-ethylidene)-1,3-dithiolan-4-yl]oxy]-4-keto-butyrate Formula: C16H21NaO8S2 MolecularWeight: 428.45291

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=C1SCC(S1)OC(=O)CCC(=O)[O-])C(=O)OC(C)C.[Na+]

Isomeric SMILES

CC(C)OC(=O)C(=C1SCC(S1)OC(=O)CCC(=O)[O-])C(=O)OC(C)C.[Na+]

InChI

InChI=1S/C16H22O8S2.Na/c1-8(2)22-14(20)13(15(21)23-9(3)4)16-25-7-12(26-16)24-11(19)6-5-10(17)18;/h8-9,12H,5-7H2,1-4H3,(H,17,18);/q;+1/p-1