sodium; [6-oxidanylidene-5-(sulfomethyl)cyclohexa-1,4-dien-1-yl]methanesulfonic acid; propane

Systemtic Name: sodium; [6-oxidanylidene-5-(sulfomethyl)cyclohexa-1,4-dien-1-yl]methanesulfonic acid; propane Openeye Name: sodium; [6-oxo-5-(sulfomethyl)cyclohexa-1,4-dien-1-yl]methanesulfonic acid; propane CAS Name: sodium; [6-oxo-5-(sulfomethyl)-1-cyclohexa-1,4-dienyl]methanesulfonic acid; propane IUPAC Name: sodium; [6-oxo-5-(sulfomethyl)cyclohexa-1,4-dien-1-yl]methanesulfonic acid; propane Traditional Name: sodium; [6-keto-5-(sulfomethyl)cyclohexa-1,4-dien-1-yl]methanesulfonic acid; n-propane Formula: C11H17NaO7S2 MolecularWeight: 348.36825

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Descriptors Computed from Structure

Canonical SMILES:

CCC.[CH-]1C=C(C(=O)C(=C1)CS(=O)(=O)O)CS(=O)(=O)O.[Na+]

Isomeric SMILES

CCC.[CH-]1C=C(C(=O)C(=C1)CS(=O)(=O)O)CS(=O)(=O)O.[Na+]

InChI

InChI=1S/C8H9O7S2.C3H8.Na/c9-8-6(4-16(10,11)12)2-1-3-7(8)5-17(13,14)15;1-3-2;/h1-3H,4-5H2,(H,10,11,12)(H,13,14,15);3H2,1-2H3;/q-1;;+1