2-(benzo[g][1]benzothiol-2-ylmethyl)benzoic acid

Systemtic Name: 2-(benzo[g][1]benzothiol-2-ylmethyl)benzoic acid Openeye Name: 2-(benzo[g]benzothiophen-2-ylmethyl)benzoic acid CAS Name: 2-(2-benzo[g][1]benzothiolylmethyl)benzoic acid IUPAC Name: 2-(benzo[g][1]benzothiol-2-ylmethyl)benzoic acid Traditional Name: 2-(benzo[g]benzothiophen-2-ylmethyl)benzoic acid Formula: C20H14O2S MolecularWeight: 318.38896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2SC(=C3)CC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2SC(=C3)CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C20H14O2S/c21-20(22)18-8-4-2-6-14(18)11-16-12-15-10-9-13-5-1-3-7-17(13)19(15)23-16/h1-10,12H,11H2,(H,21,22)