8-bromanylbenzo[e][1]benzothiole-4-carboxylic acid

Systemtic Name: 8-bromanylbenzo[e][1]benzothiole-4-carboxylic acid Openeye Name: 8-bromobenzo[e]benzothiophene-4-carboxylic acid CAS Name: 8-bromo-4-benzo[e][1]benzothiolecarboxylic acid IUPAC Name: 8-bromobenzo[e][1]benzothiole-4-carboxylic acid Traditional Name: 8-bromobenzo[e]benzothiophene-4-carboxylic acid Formula: C13H7BrO2S MolecularWeight: 307.16248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C3C=CSC3=C(C=C21)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC2=C3C=CSC3=C(C=C21)C(=O)O)Br

InChI

InChI=1S/C13H7BrO2S/c14-8-2-1-7-5-11(13(15)16)12-9(3-4-17-12)10(7)6-8/h1-6H,(H,15,16)