sodium 2-methyl-4-oxidanyl-5-propan-2-yl-benzenesulfonate

Systemtic Name: sodium 2-methyl-4-oxidanyl-5-propan-2-yl-benzenesulfonate Openeye Name: sodium 4-hydroxy-5-isopropyl-2-methyl-benzenesulfonate CAS Name: sodium 4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonate IUPAC Name: sodium 4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonate Traditional Name: sodium 4-hydroxy-5-isopropyl-2-methyl-besylate Formula: C10H13NaO4S MolecularWeight: 252.26259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)[O-])C(C)C)O.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)[O-])C(C)C)O.[Na+]

InChI

InChI=1S/C10H14O4S.Na/c1-6(2)8-5-10(15(12,13)14)7(3)4-9(8)11;/h4-6,11H,1-3H3,(H,12,13,14);/q;+1/p-1