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

Systemtic Name: 8-cyanobenzo[e][1]benzothiole-4-carboxylic acid Openeye Name: 8-cyanobenzo[e]benzothiophene-4-carboxylic acid CAS Name: 8-cyano-4-benzo[e][1]benzothiolecarboxylic acid IUPAC Name: 8-cyanobenzo[e][1]benzothiole-4-carboxylic acid Traditional Name: 8-cyanobenzo[e]benzothiophene-4-carboxylic acid Formula: C14H7NO2S MolecularWeight: 253.27588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=C3C(=C2C=C1C#N)C=CS3)C(=O)O

Isomeric SMILES

C1=CC2=CC(=C3C(=C2C=C1C#N)C=CS3)C(=O)O

InChI

InChI=1S/C14H7NO2S/c15-7-8-1-2-9-6-12(14(16)17)13-10(3-4-18-13)11(9)5-8/h1-6H,(H,16,17)