2-(4-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoic acid

Systemtic Name: 2-(4-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoic acid Openeye Name: 2-(4-chloro-2-benzothiophen-1-yl)-3-methyl-butanoic acid CAS Name: 2-(4-chloro-2-benzothiophen-1-yl)-3-methylbutanoic acid IUPAC Name: 2-(4-chloro-2-benzothiophen-1-yl)-3-methylbutanoic acid Traditional Name: 2-(4-chloroisobenzothiophen-1-yl)-3-methyl-butyric acid Formula: C13H13ClO2S MolecularWeight: 268.75912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=C2C=CC=C(C2=CS1)Cl)C(=O)O

Isomeric SMILES

CC(C)C(C1=C2C=CC=C(C2=CS1)Cl)C(=O)O

InChI

InChI=1S/C13H13ClO2S/c1-7(2)11(13(15)16)12-8-4-3-5-10(14)9(8)6-17-12/h3-7,11H,1-2H3,(H,15,16)