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

Systemtic Name: 6-cyanobenzo[e][1]benzothiole-4-carboxylic acid Openeye Name: 6-cyanobenzo[e]benzothiophene-4-carboxylic acid CAS Name: 6-cyano-4-benzo[e][1]benzothiolecarboxylic acid IUPAC Name: 6-cyanobenzo[e][1]benzothiole-4-carboxylic acid Traditional Name: 6-cyanobenzo[e]benzothiophene-4-carboxylic acid Formula: C14H7NO2S MolecularWeight: 253.27588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C3=C(C2=C1)C=CS3)C(=O)O)C#N

Isomeric SMILES

C1=CC(=C2C=C(C3=C(C2=C1)C=CS3)C(=O)O)C#N

InChI

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