sodium 2-(2-ethylhexoxysulfonyl)-4-hexoxy-4-oxidanylidene-butanoate

Systemtic Name: sodium 2-(2-ethylhexoxysulfonyl)-4-hexoxy-4-oxidanylidene-butanoate Openeye Name: sodium 2-(2-ethylhexoxysulfonyl)-4-hexoxy-4-oxo-butanoate CAS Name: sodium 2-(2-ethylhexoxysulfonyl)-4-hexoxy-4-oxobutanoate IUPAC Name: sodium 2-(2-ethylhexoxysulfonyl)-4-hexoxy-4-oxobutanoate Traditional Name: sodium 2-(2-ethylhexoxysulfonyl)-4-hexoxy-4-keto-butyrate Formula: C18H33NaO7S MolecularWeight: 416.50519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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