sodium [3-(ethenylperoxymethyl)-4-heptyl-1,2-dioxetan-3-yl]methanesulfonate

Systemtic Name: sodium [3-(ethenylperoxymethyl)-4-heptyl-1,2-dioxetan-3-yl]methanesulfonate Openeye Name: sodium [4-heptyl-3-(vinylperoxymethyl)dioxetan-3-yl]methanesulfonate CAS Name: sodium [3-(ethenyldioxymethyl)-4-heptyl-3-dioxetanyl]methanesulfonate IUPAC Name: sodium [3-(ethenylperoxymethyl)-4-heptyldioxetan-3-yl]methanesulfonate Traditional Name: sodium [4-heptyl-3-(vinylperoxymethyl)dioxetan-3-yl]methanesulfonate Formula: C13H23NaO7S MolecularWeight: 346.37229

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(OO1)(COOC=C)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC1C(OO1)(COOC=C)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H24O7S.Na/c1-3-5-6-7-8-9-12-13(20-19-12,10-18-17-4-2)11-21(14,15)16;/h4,12H,2-3,5-11H2,1H3,(H,14,15,16);/q;+1/p-1