3-chloranylsulfonyl-4-ethyl-benzoic acid

Systemtic Name: 3-chloranylsulfonyl-4-ethyl-benzoic acid Openeye Name: 3-chlorosulfonyl-4-ethyl-benzoic acid CAS Name: 3-chlorosulfonyl-4-ethylbenzoic acid IUPAC Name: 3-chlorosulfonyl-4-ethylbenzoic acid Traditional Name: 3-chlorosulfonyl-4-ethyl-benzoic acid Formula: C9H9ClO4S MolecularWeight: 248.68336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)Cl

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)Cl

InChI

InChI=1S/C9H9ClO4S/c1-2-6-3-4-7(9(11)12)5-8(6)15(10,13)14/h3-5H,2H2,1H3,(H,11,12)