4-(4-chloranylsulfonyl-2-methyl-phenoxy)butanoic acid

Systemtic Name: 4-(4-chloranylsulfonyl-2-methyl-phenoxy)butanoic acid Openeye Name: 4-(4-chlorosulfonyl-2-methyl-phenoxy)butanoic acid CAS Name: 4-(4-chlorosulfonyl-2-methylphenoxy)butanoic acid IUPAC Name: 4-(4-chlorosulfonyl-2-methylphenoxy)butanoic acid Traditional Name: 4-(4-chlorosulfonyl-2-methyl-phenoxy)butyric acid Formula: C11H13ClO5S MolecularWeight: 292.73592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)Cl)OCCCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)Cl)OCCCC(=O)O

InChI

InChI=1S/C11H13ClO5S/c1-8-7-9(18(12,15)16)4-5-10(8)17-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)