4-methylsulfonyl-2-propyl-benzoic acid

Systemtic Name: 4-methylsulfonyl-2-propyl-benzoic acid Openeye Name: 4-methylsulfonyl-2-propyl-benzoic acid CAS Name: 4-methylsulfonyl-2-propylbenzoic acid IUPAC Name: 4-methylsulfonyl-2-propylbenzoic acid Traditional Name: 4-mesyl-2-propyl-benzoic acid Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C11H14O4S/c1-3-4-8-7-9(16(2,14)15)5-6-10(8)11(12)13/h5-7H,3-4H2,1-2H3,(H,12,13)