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6-(2-methylbutan-2-yl)-1-benzothiophene-3-carboxylic acid

6-(2-methylbutan-2-yl)-1-benzothiophene-3-carboxylic acid

Systemtic Name:6-(2-methylbutan-2-yl)-1-benzothiophene-3-carboxylic acid
Openeye Name:6-(1,1-dimethylpropyl)benzothiophene-3-carboxylic acid
CAS Name:6-(2-methylbutan-2-yl)-1-benzothiophene-3-carboxylic acid
IUPAC Name:6-(2-methylbutan-2-yl)-1-benzothiophene-3-carboxylic acid
Traditional Name:6-tert-amylbenzothiophene-3-carboxylic acid
Formula: C14H16O2S
MolecularWeight: 248.34064
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)C(=CS2)C(=O)O


Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)C(=CS2)C(=O)O


InChI

InChI=1S/C14H16O2S/c1-4-14(2,3)9-5-6-10-11(13(15)16)8-17-12(10)7-9/h5-8H,4H2,1-3H3,(H,15,16)


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