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

Systemtic Name: sodium 1-(2-ethylhexoxy)-4-hexoxy-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 1-(2-ethylhexoxy)-4-hexoxy-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 1-(2-ethylhexoxy)-4-hexoxy-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 1-(2-ethylhexoxy)-4-hexoxy-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1-(2-ethylhexoxy)-4-hexoxy-1,4-diketo-butane-2-sulfonate Formula: C18H33NaO7S MolecularWeight: 416.50519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34O7S.Na/c1-4-7-9-10-12-24-17(19)13-16(26(21,22)23)18(20)25-14-15(6-3)11-8-5-2;/h15-16H,4-14H2,1-3H3,(H,21,22,23);/q;+1/p-1