calcium 1,4-bis(2-methylpropoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: calcium 1,4-bis(2-methylpropoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: calcium 1,4-diisobutoxy-1,4-dioxo-butane-2-sulfonic acid CAS Name: calcium 1,4-bis(2-methylpropoxy)-1,4-dioxo-2-butanesulfonic acid IUPAC Name: calcium 1,4-bis(2-methylpropoxy)-1,4-dioxobutane-2-sulfonic acid Traditional Name: calcium 1,4-diisobutoxy-1,4-diketo-butane-2-sulfonic acid Formula: C12H22CaO7S+2 MolecularWeight: 350.44188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CC(C(=O)OCC(C)C)S(=O)(=O)O.[Ca+2]

Isomeric SMILES

CC(C)COC(=O)CC(C(=O)OCC(C)C)S(=O)(=O)O.[Ca+2]

InChI

InChI=1S/C12H22O7S.Ca/c1-8(2)6-18-11(13)5-10(20(15,16)17)12(14)19-7-9(3)4;/h8-10H,5-7H2,1-4H3,(H,15,16,17);/q;+2