sodium 1-oxidanyl-3-oxidanylidene-3-(4-propan-2-ylphenyl)propane-1-sulfonate

Systemtic Name: sodium 1-oxidanyl-3-oxidanylidene-3-(4-propan-2-ylphenyl)propane-1-sulfonate Openeye Name: sodium 1-hydroxy-3-(4-isopropylphenyl)-3-oxo-propane-1-sulfonate CAS Name: sodium 1-hydroxy-3-oxo-3-(4-propan-2-ylphenyl)-1-propanesulfonate IUPAC Name: sodium 1-hydroxy-3-oxo-3-(4-propan-2-ylphenyl)propane-1-sulfonate Traditional Name: sodium 1-hydroxy-3-keto-3-p-cumenyl-propane-1-sulfonate Formula: C12H15NaO5S MolecularWeight: 294.29927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O5S.Na/c1-8(2)9-3-5-10(6-4-9)11(13)7-12(14)18(15,16)17;/h3-6,8,12,14H,7H2,1-2H3,(H,15,16,17);/q;+1/p-1