sodium 4-(5,5-dimethyl-6-oxidanyl-6-oxidanylidene-hexan-3-yl)benzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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