sodium 1-oxidanyl-3-(3-propan-2-ylphenyl)butane-1-sulfonate

Systemtic Name: sodium 1-oxidanyl-3-(3-propan-2-ylphenyl)butane-1-sulfonate Openeye Name: sodium 1-hydroxy-3-(3-isopropylphenyl)butane-1-sulfonate CAS Name: sodium 1-hydroxy-3-(3-propan-2-ylphenyl)-1-butanesulfonate IUPAC Name: sodium 1-hydroxy-3-(3-propan-2-ylphenyl)butane-1-sulfonate Traditional Name: sodium 1-hydroxy-3-m-cumenyl-butane-1-sulfonate Formula: C13H19NaO4S MolecularWeight: 294.34233

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O4S.Na/c1-9(2)11-5-4-6-12(8-11)10(3)7-13(14)18(15,16)17;/h4-6,8-10,13-14H,7H2,1-3H3,(H,15,16,17);/q;+1/p-1