4-chloranyl-3-(oxolan-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 4-chloranyl-3-(oxolan-2-ylmethylsulfonyl)benzoic acid Openeye Name: 4-chloro-3-(tetrahydrofuran-2-ylmethylsulfonyl)benzoic acid CAS Name: 4-chloro-3-(2-oxolanylmethylsulfonyl)benzoic acid IUPAC Name: 4-chloro-3-(oxolan-2-ylmethylsulfonyl)benzoic acid Traditional Name: 4-chloro-3-(tetrahydrofurfurylsulfonyl)benzoic acid Formula: C12H13ClO5S MolecularWeight: 304.74662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

C1CC(OC1)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C12H13ClO5S/c13-10-4-3-8(12(14)15)6-11(10)19(16,17)7-9-2-1-5-18-9/h3-4,6,9H,1-2,5,7H2,(H,14,15)