2-tert-butyl-6-chloranylsulfonyl-benzoic acid

Systemtic Name: 2-tert-butyl-6-chloranylsulfonyl-benzoic acid Openeye Name: 2-tert-butyl-6-chlorosulfonyl-benzoic acid CAS Name: 2-tert-butyl-6-chlorosulfonylbenzoic acid IUPAC Name: 2-tert-butyl-6-chlorosulfonylbenzoic acid Traditional Name: 2-tert-butyl-6-chlorosulfonyl-benzoic acid Formula: C11H13ClO4S MolecularWeight: 276.73652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC=C1)S(=O)(=O)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC=C1)S(=O)(=O)Cl)C(=O)O

InChI

InChI=1S/C11H13ClO4S/c1-11(2,3)7-5-4-6-8(17(12,15)16)9(7)10(13)14/h4-6H,1-3H3,(H,13,14)