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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C(=CC2=C1)C=C(S3)CC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C2C=C3C(=CC2=C1)C=C(S3)CC4=CC=CC=C4C(=O)O

InChI

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