4-bromanyl-3-cyclopentylsulfonyl-benzoic acid

Systemtic Name: 4-bromanyl-3-cyclopentylsulfonyl-benzoic acid Openeye Name: 4-bromo-3-cyclopentylsulfonyl-benzoic acid CAS Name: 4-bromo-3-cyclopentylsulfonylbenzoic acid IUPAC Name: 4-bromo-3-cyclopentylsulfonylbenzoic acid Traditional Name: 4-bromo-3-cyclopentylsulfonyl-benzoic acid Formula: C12H13BrO4S MolecularWeight: 333.19822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrO4S/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)