4-chloranyl-3-cyclopentylsulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-3-cyclopentylsulfonyl-benzoic acid Openeye Name: 4-chloro-3-cyclopentylsulfonyl-benzoic acid CAS Name: 4-chloro-3-cyclopentylsulfonylbenzoic acid IUPAC Name: 4-chloro-3-cyclopentylsulfonylbenzoic acid Traditional Name: 4-chloro-3-cyclopentylsulfonyl-benzoic acid Formula: C12H13ClO4S MolecularWeight: 288.74722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

C1CCC(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C12H13ClO4S/c13-10-6-5-8(12(14)15)7-11(10)18(16,17)9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,15)