3-(4-chloranylsulfonyl-2,3,6-trimethyl-phenoxy)propanoic acid

Systemtic Name: 3-(4-chloranylsulfonyl-2,3,6-trimethyl-phenoxy)propanoic acid Openeye Name: 3-(4-chlorosulfonyl-2,3,6-trimethyl-phenoxy)propanoic acid CAS Name: 3-(4-chlorosulfonyl-2,3,6-trimethylphenoxy)propanoic acid IUPAC Name: 3-(4-chlorosulfonyl-2,3,6-trimethylphenoxy)propanoic acid Traditional Name: 3-(4-chlorosulfonyl-2,3,6-trimethyl-phenoxy)propionic acid Formula: C12H15ClO5S MolecularWeight: 306.7625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OCCC(=O)O)C)C)S(=O)(=O)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1OCCC(=O)O)C)C)S(=O)(=O)Cl

InChI

InChI=1S/C12H15ClO5S/c1-7-6-10(19(13,16)17)8(2)9(3)12(7)18-5-4-11(14)15/h6H,4-5H2,1-3H3,(H,14,15)