3-bromanyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid

Systemtic Name: 3-bromanyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid Openeye Name: 3-bromo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid CAS Name: 3-bromo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid IUPAC Name: 3-bromo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid Traditional Name: 3-bromo-4,5,6,7-tetrahydroisobenzothiophene-1-carboxylic acid Formula: C9H9BrO2S MolecularWeight: 261.13556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(SC(=C2C1)C(=O)O)Br

Isomeric SMILES

C1CCC2=C(SC(=C2C1)C(=O)O)Br

InChI

InChI=1S/C9H9BrO2S/c10-8-6-4-2-1-3-5(6)7(13-8)9(11)12/h1-4H2,(H,11,12)