sodium 4-(6-methoxy-5-methyl-6-oxidanylidene-hexan-3-yl)benzenesulfonate

Systemtic Name: sodium 4-(6-methoxy-5-methyl-6-oxidanylidene-hexan-3-yl)benzenesulfonate Openeye Name: sodium 4-(1-ethyl-4-methoxy-3-methyl-4-oxo-butyl)benzenesulfonate CAS Name: sodium 4-(6-methoxy-5-methyl-6-oxohexan-3-yl)benzenesulfonate IUPAC Name: sodium 4-(6-methoxy-5-methyl-6-oxohexan-3-yl)benzenesulfonate Traditional Name: sodium 4-(1-ethyl-4-keto-4-methoxy-3-methyl-butyl)besylate Formula: C14H19NaO5S MolecularWeight: 322.35243

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C(=O)OC)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC(CC(C)C(=O)OC)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H20O5S.Na/c1-4-11(9-10(2)14(15)19-3)12-5-7-13(8-6-12)20(16,17)18;/h5-8,10-11H,4,9H2,1-3H3,(H,16,17,18);/q;+1/p-1