(5-tert-butyl-3-methylsulfanyl-2-oxidanyl-phenyl)methylsulfamic acid

Systemtic Name: (5-tert-butyl-3-methylsulfanyl-2-oxidanyl-phenyl)methylsulfamic acid Openeye Name: (5-tert-butyl-2-hydroxy-3-methylsulfanyl-phenyl)methylsulfamic acid CAS Name: [5-tert-butyl-2-hydroxy-3-(methylthio)phenyl]methylsulfamic acid IUPAC Name: (5-tert-butyl-2-hydroxy-3-methylsulfanylphenyl)methylsulfamic acid Traditional Name: [5-tert-butyl-2-hydroxy-3-(methylthio)benzyl]sulfamic acid Formula: C12H19NO4S2 MolecularWeight: 305.41356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)SC)O)CNS(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)SC)O)CNS(=O)(=O)O

InChI

InChI=1S/C12H19NO4S2/c1-12(2,3)9-5-8(7-13-19(15,16)17)11(14)10(6-9)18-4/h5-6,13-14H,7H2,1-4H3,(H,15,16,17)