sodium 2,4-dimethyl-3-oxidanylidene-pent-4-ene-1-sulfonate

Systemtic Name: sodium 2,4-dimethyl-3-oxidanylidene-pent-4-ene-1-sulfonate Openeye Name: sodium 2,4-dimethyl-3-oxo-pent-4-ene-1-sulfonate CAS Name: sodium 2,4-dimethyl-3-oxo-4-pentene-1-sulfonate IUPAC Name: sodium 2,4-dimethyl-3-oxopent-4-ene-1-sulfonate Traditional Name: sodium 3-keto-2,4-dimethyl-pent-4-ene-1-sulfonate Formula: C7H11NaO4S MolecularWeight: 214.21461

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)[O-])C(=O)C(=C)C.[Na+]

Isomeric SMILES

CC(CS(=O)(=O)[O-])C(=O)C(=C)C.[Na+]

InChI

InChI=1S/C7H12O4S.Na/c1-5(2)7(8)6(3)4-12(9,10)11;/h6H,1,4H2,2-3H3,(H,9,10,11);/q;+1/p-1