3-(3-chloranyl-4-methylsulfonyl-phenyl)propanoic acid

Systemtic Name: 3-(3-chloranyl-4-methylsulfonyl-phenyl)propanoic acid Openeye Name: 3-(3-chloro-4-methylsulfonyl-phenyl)propanoic acid CAS Name: 3-(3-chloro-4-methylsulfonylphenyl)propanoic acid IUPAC Name: 3-(3-chloro-4-methylsulfonylphenyl)propanoic acid Traditional Name: 3-(3-chloro-4-mesyl-phenyl)propionic acid Formula: C10H11ClO4S MolecularWeight: 262.70994

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)CCC(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)CCC(=O)O)Cl

InChI

InChI=1S/C10H11ClO4S/c1-16(14,15)9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)