(3R)-3-(4-chloranyl-3-methyl-phenyl)sulfonylbutanoic acid

Systemtic Name: (3R)-3-(4-chloranyl-3-methyl-phenyl)sulfonylbutanoic acid Openeye Name: (3R)-3-(4-chloro-3-methyl-phenyl)sulfonylbutanoic acid CAS Name: (3R)-3-(4-chloro-3-methylphenyl)sulfonylbutanoic acid IUPAC Name: (3R)-3-(4-chloro-3-methylphenyl)sulfonylbutanoic acid Traditional Name: (3R)-3-(4-chloro-3-methyl-phenyl)sulfonylbutyric acid Formula: C11H13ClO4S MolecularWeight: 276.73652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)C(C)CC(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)[C@H](C)CC(=O)O)Cl

InChI

InChI=1S/C11H13ClO4S/c1-7-5-9(3-4-10(7)12)17(15,16)8(2)6-11(13)14/h3-5,8H,6H2,1-2H3,(H,13,14)/t8-/m1/s1