4-(4-chloranylsulfonyl-2,3,6-trimethyl-phenoxy)butanoic acid

Systemtic Name: 4-(4-chloranylsulfonyl-2,3,6-trimethyl-phenoxy)butanoic acid Openeye Name: 4-(4-chlorosulfonyl-2,3,6-trimethyl-phenoxy)butanoic acid CAS Name: 4-(4-chlorosulfonyl-2,3,6-trimethylphenoxy)butanoic acid IUPAC Name: 4-(4-chlorosulfonyl-2,3,6-trimethylphenoxy)butanoic acid Traditional Name: 4-(4-chlorosulfonyl-2,3,6-trimethyl-phenoxy)butyric acid Formula: C13H17ClO5S MolecularWeight: 320.78908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OCCCC(=O)O)C)C)S(=O)(=O)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1OCCCC(=O)O)C)C)S(=O)(=O)Cl

InChI

InChI=1S/C13H17ClO5S/c1-8-7-11(20(14,17)18)9(2)10(3)13(8)19-6-4-5-12(15)16/h7H,4-6H2,1-3H3,(H,15,16)