2-benzo[e][1]benzothiol-2-ylcarbonylbenzoic acid

Systemtic Name: 2-benzo[e][1]benzothiol-2-ylcarbonylbenzoic acid Openeye Name: 2-(benzo[e]benzothiophene-2-carbonyl)benzoic acid CAS Name: 2-[2-benzo[e][1]benzothiolyl(oxo)methyl]benzoic acid IUPAC Name: 2-(benzo[e][1]benzothiole-2-carbonyl)benzoic acid Traditional Name: 2-(benzo[e]benzothiophene-2-carbonyl)benzoic acid Formula: C20H12O3S MolecularWeight: 332.37248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=C(S3)C(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=C(S3)C(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C20H12O3S/c21-19(14-7-3-4-8-15(14)20(22)23)18-11-16-13-6-2-1-5-12(13)9-10-17(16)24-18/h1-11H,(H,22,23)