sodium 1,4-bis(2-ethanoylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium 1,4-bis(2-ethanoylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 1,4-bis(2-acetylhexoxy)-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 1,4-bis(2-acetylhexoxy)-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 1,4-bis(2-acetylhexoxy)-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1,4-bis(2-acetylhexoxy)-1,4-diketo-butane-2-sulfonate Formula: C20H33NaO9S MolecularWeight: 472.52539

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34O9S.Na/c1-5-7-9-16(14(3)21)12-28-19(23)11-18(30(25,26)27)20(24)29-13-17(15(4)22)10-8-6-2;/h16-18H,5-13H2,1-4H3,(H,25,26,27);/q;+1/p-1