sodium 1,5-bis(2-methylpropoxy)-3-(2-methylpropoxycarbonyl)-1,5-bis(oxidanylidene)pentane-2-sulfonate

Systemtic Name: sodium 1,5-bis(2-methylpropoxy)-3-(2-methylpropoxycarbonyl)-1,5-bis(oxidanylidene)pentane-2-sulfonate Openeye Name: sodium 1,5-diisobutoxy-3-isobutoxycarbonyl-1,5-dioxo-pentane-2-sulfonate CAS Name: sodium 1,5-bis(2-methylpropoxy)-3-[2-methylpropoxy(oxo)methyl]-1,5-dioxo-2-pentanesulfonate IUPAC Name: sodium 1,5-bis(2-methylpropoxy)-3-(2-methylpropoxycarbonyl)-1,5-dioxopentane-2-sulfonate Traditional Name: sodium 1,5-diisobutoxy-3-isobutoxycarbonyl-1,5-diketo-pentane-2-sulfonate Formula: C18H31NaO9S MolecularWeight: 446.48811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CC(C(C(=O)OCC(C)C)S(=O)(=O)[O-])C(=O)OCC(C)C.[Na+]

Isomeric SMILES

CC(C)COC(=O)CC(C(C(=O)OCC(C)C)S(=O)(=O)[O-])C(=O)OCC(C)C.[Na+]

InChI

InChI=1S/C18H32O9S.Na/c1-11(2)8-25-15(19)7-14(17(20)26-9-12(3)4)16(28(22,23)24)18(21)27-10-13(5)6;/h11-14,16H,7-10H2,1-6H3,(H,22,23,24);/q;+1/p-1