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

Systemtic Name: 2-methyl-5-propan-2-ylsulfonyl-benzoic acid Openeye Name: 5-isopropylsulfonyl-2-methyl-benzoic acid CAS Name: 2-methyl-5-propan-2-ylsulfonylbenzoic acid IUPAC Name: 2-methyl-5-propan-2-ylsulfonylbenzoic acid Traditional Name: 5-isopropylsulfonyl-2-methyl-benzoic acid Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C(C)C)C(=O)O

InChI

InChI=1S/C11H14O4S/c1-7(2)16(14,15)9-5-4-8(3)10(6-9)11(12)13/h4-7H,1-3H3,(H,12,13)