3-tert-butyl-5-methyl-4-oxidanyl-benzenesulfonic acid; sodium

Systemtic Name: 3-tert-butyl-5-methyl-4-oxidanyl-benzenesulfonic acid; sodium Openeye Name: 3-tert-butyl-4-hydroxy-5-methyl-benzenesulfonic acid; sodium CAS Name: 3-tert-butyl-4-hydroxy-5-methylbenzenesulfonic acid; sodium IUPAC Name: 3-tert-butyl-4-hydroxy-5-methylbenzenesulfonic acid; sodium Traditional Name: 3-tert-butyl-4-hydroxy-5-methyl-besylic acid; sodium Formula: C11H16NaO4S MolecularWeight: 267.29711

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)O.[Na]

Isomeric SMILES

CC1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)O.[Na]

InChI

InChI=1S/C11H16O4S.Na/c1-7-5-8(16(13,14)15)6-9(10(7)12)11(2,3)4;/h5-6,12H,1-4H3,(H,13,14,15);