4-chloranyl-2-methyl-5-propan-2-ylsulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-2-methyl-5-propan-2-ylsulfonyl-benzoic acid Openeye Name: 4-chloro-5-isopropylsulfonyl-2-methyl-benzoic acid CAS Name: 4-chloro-2-methyl-5-propan-2-ylsulfonylbenzoic acid IUPAC Name: 4-chloro-2-methyl-5-propan-2-ylsulfonylbenzoic acid Traditional Name: 4-chloro-5-isopropylsulfonyl-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)C(C)C)Cl

Isomeric SMILES

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

InChI

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