6-chloranylbenzo[e][1]benzothiole-4-carboxylic acid

Systemtic Name: 6-chloranylbenzo[e][1]benzothiole-4-carboxylic acid Openeye Name: 6-chlorobenzo[e]benzothiophene-4-carboxylic acid CAS Name: 6-chloro-4-benzo[e][1]benzothiolecarboxylic acid IUPAC Name: 6-chlorobenzo[e][1]benzothiole-4-carboxylic acid Traditional Name: 6-chlorobenzo[e]benzothiophene-4-carboxylic acid Formula: C13H7ClO2S MolecularWeight: 262.71148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C=CSC3=C(C=C2C(=C1)Cl)C(=O)O

Isomeric SMILES

C1=CC2=C3C=CSC3=C(C=C2C(=C1)Cl)C(=O)O

InChI

InChI=1S/C13H7ClO2S/c14-11-3-1-2-7-8-4-5-17-12(8)10(13(15)16)6-9(7)11/h1-6H,(H,15,16)