2-(3-chloranyl-4-ethyl-phenyl)sulfonylethanoic acid

Systemtic Name: 2-(3-chloranyl-4-ethyl-phenyl)sulfonylethanoic acid Openeye Name: 2-(3-chloro-4-ethyl-phenyl)sulfonylacetic acid CAS Name: 2-(3-chloro-4-ethylphenyl)sulfonylacetic acid IUPAC Name: 2-(3-chloro-4-ethylphenyl)sulfonylacetic acid Traditional Name: 2-(3-chloro-4-ethyl-phenyl)sulfonylacetic acid Formula: C10H11ClO4S MolecularWeight: 262.70994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)S(=O)(=O)CC(=O)O)Cl

Isomeric SMILES

CCC1=C(C=C(C=C1)S(=O)(=O)CC(=O)O)Cl

InChI

InChI=1S/C10H11ClO4S/c1-2-7-3-4-8(5-9(7)11)16(14,15)6-10(12)13/h3-5H,2,6H2,1H3,(H,12,13)