5-chloranylsulfonyl-2-methyl-4-propan-2-yl-benzoic acid

Systemtic Name: 5-chloranylsulfonyl-2-methyl-4-propan-2-yl-benzoic acid Openeye Name: 5-chlorosulfonyl-4-isopropyl-2-methyl-benzoic acid CAS Name: 5-chlorosulfonyl-2-methyl-4-propan-2-ylbenzoic acid IUPAC Name: 5-chlorosulfonyl-2-methyl-4-propan-2-ylbenzoic acid Traditional Name: 5-chlorosulfonyl-4-isopropyl-2-methyl-benzoic acid Formula: C11H13ClO4S MolecularWeight: 276.73652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)C(C)C

InChI

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