2-(2-butan-2-yl-4-chloranylsulfonyl-phenoxy)ethanoic acid

Systemtic Name: 2-(2-butan-2-yl-4-chloranylsulfonyl-phenoxy)ethanoic acid Openeye Name: 2-(4-chlorosulfonyl-2-sec-butyl-phenoxy)acetic acid CAS Name: 2-(2-butan-2-yl-4-chlorosulfonylphenoxy)acetic acid IUPAC Name: 2-(2-butan-2-yl-4-chlorosulfonylphenoxy)acetic acid Traditional Name: 2-(4-chlorosulfonyl-2-sec-butyl-phenoxy)acetic acid Formula: C12H15ClO5S MolecularWeight: 306.7625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClO5S/c1-3-8(2)10-6-9(19(13,16)17)4-5-11(10)18-7-12(14)15/h4-6,8H,3,7H2,1-2H3,(H,14,15)