2-(6-phenyl-1,3-benzothiazol-2-yl)benzoic acid

Systemtic Name: 2-(6-phenyl-1,3-benzothiazol-2-yl)benzoic acid Openeye Name: 2-(6-phenyl-1,3-benzothiazol-2-yl)benzoic acid CAS Name: 2-(6-phenyl-1,3-benzothiazol-2-yl)benzoic acid IUPAC Name: 2-(6-phenyl-1,3-benzothiazol-2-yl)benzoic acid Traditional Name: 2-(6-phenyl-1,3-benzothiazol-2-yl)benzoic acid Formula: C20H13NO2S MolecularWeight: 331.38772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(S3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(S3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C20H13NO2S/c22-20(23)16-9-5-4-8-15(16)19-21-17-11-10-14(12-18(17)24-19)13-6-2-1-3-7-13/h1-12H,(H,22,23)