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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)Cl)C)OCCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)Cl)C)OCCCCC(=O)O

InChI

InChI=1S/C13H17ClO5S/c1-9-8-12(20(14,17)18)10(2)7-11(9)19-6-4-3-5-13(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)