sodium 4-butyl-3-(4-butyl-4-ethyl-2-oxidanylidene-oxolan-3-yl)-4-ethyl-2-oxidanylidene-oxolane-3-sulfonate

Systemtic Name: sodium 4-butyl-3-(4-butyl-4-ethyl-2-oxidanylidene-oxolan-3-yl)-4-ethyl-2-oxidanylidene-oxolane-3-sulfonate Openeye Name: sodium 4-butyl-3-(4-butyl-4-ethyl-2-oxo-tetrahydrofuran-3-yl)-4-ethyl-2-oxo-tetrahydrofuran-3-sulfonate CAS Name: sodium 4-butyl-3-(4-butyl-4-ethyl-2-oxo-3-oxolanyl)-4-ethyl-2-oxo-3-oxolanesulfonate IUPAC Name: sodium 4-butyl-3-(4-butyl-4-ethyl-2-oxooxolan-3-yl)-4-ethyl-2-oxooxolane-3-sulfonate Traditional Name: sodium 4-butyl-3-(4-butyl-4-ethyl-2-keto-tetrahydrofuran-3-yl)-4-ethyl-2-keto-tetrahydrofuran-3-sulfonate Formula: C20H33NaO7S MolecularWeight: 440.52659

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(COC(=O)C1C2(C(=O)OCC2(CC)CCCC)S(=O)(=O)[O-])CC.[Na+]

Isomeric SMILES

CCCCC1(COC(=O)C1C2(C(=O)OCC2(CC)CCCC)S(=O)(=O)[O-])CC.[Na+]

InChI

InChI=1S/C20H34O7S.Na/c1-5-9-11-18(7-3)13-26-16(21)15(18)20(28(23,24)25)17(22)27-14-19(20,8-4)12-10-6-2;/h15H,5-14H2,1-4H3,(H,23,24,25);/q;+1/p-1