2-[3-chloranyl-4-(phenylmethyl)phenyl]sulfonylethanoic acid

Systemtic Name: 2-[3-chloranyl-4-(phenylmethyl)phenyl]sulfonylethanoic acid Openeye Name: 2-(4-benzyl-3-chloro-phenyl)sulfonylacetic acid CAS Name: 2-[3-chloro-4-(phenylmethyl)phenyl]sulfonylacetic acid IUPAC Name: 2-(4-benzyl-3-chlorophenyl)sulfonylacetic acid Traditional Name: 2-(4-benzyl-3-chloro-phenyl)sulfonylacetic acid Formula: C15H13ClO4S MolecularWeight: 324.77932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=C(C=C2)S(=O)(=O)CC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=C(C=C2)S(=O)(=O)CC(=O)O)Cl

InChI

InChI=1S/C15H13ClO4S/c16-14-9-13(21(19,20)10-15(17)18)7-6-12(14)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,17,18)