3-(2-butan-2-yl-4-chloranylsulfonyl-phenoxy)propanoic acid

Systemtic Name: 3-(2-butan-2-yl-4-chloranylsulfonyl-phenoxy)propanoic acid Openeye Name: 3-(4-chlorosulfonyl-2-sec-butyl-phenoxy)propanoic acid CAS Name: 3-(2-butan-2-yl-4-chlorosulfonylphenoxy)propanoic acid IUPAC Name: 3-(2-butan-2-yl-4-chlorosulfonylphenoxy)propanoic acid Traditional Name: 3-(4-chlorosulfonyl-2-sec-butyl-phenoxy)propionic acid Formula: C13H17ClO5S MolecularWeight: 320.78908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=CC(=C1)S(=O)(=O)Cl)OCCC(=O)O

Isomeric SMILES

CCC(C)C1=C(C=CC(=C1)S(=O)(=O)Cl)OCCC(=O)O

InChI

InChI=1S/C13H17ClO5S/c1-3-9(2)11-8-10(20(14,17)18)4-5-12(11)19-7-6-13(15)16/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,16)