3-chloranyl-2-(4-ethylphenyl)sulfonyl-propanoic acid

Systemtic Name: 3-chloranyl-2-(4-ethylphenyl)sulfonyl-propanoic acid Openeye Name: 3-chloro-2-(4-ethylphenyl)sulfonyl-propanoic acid CAS Name: 3-chloro-2-(4-ethylphenyl)sulfonylpropanoic acid IUPAC Name: 3-chloro-2-(4-ethylphenyl)sulfonylpropanoic acid Traditional Name: 3-chloro-2-(4-ethylphenyl)sulfonyl-propionic acid Formula: C11H13ClO4S MolecularWeight: 276.73652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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