5-(4-chloranylsulfonyl-2,3-dimethyl-phenoxy)pentanoic acid

Systemtic Name: 5-(4-chloranylsulfonyl-2,3-dimethyl-phenoxy)pentanoic acid Openeye Name: 5-(4-chlorosulfonyl-2,3-dimethyl-phenoxy)pentanoic acid CAS Name: 5-(4-chlorosulfonyl-2,3-dimethylphenoxy)pentanoic acid IUPAC Name: 5-(4-chlorosulfonyl-2,3-dimethylphenoxy)pentanoic acid Traditional Name: 5-(4-chlorosulfonyl-2,3-dimethyl-phenoxy)valeric acid Formula: C13H17ClO5S MolecularWeight: 320.78908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)S(=O)(=O)Cl)OCCCCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1C)S(=O)(=O)Cl)OCCCCC(=O)O

InChI

InChI=1S/C13H17ClO5S/c1-9-10(2)12(20(14,17)18)7-6-11(9)19-8-4-3-5-13(15)16/h6-7H,3-5,8H2,1-2H3,(H,15,16)