4-chloranyl-2-(5-phenyl-1,3-benzothiazol-2-yl)benzoic acid

Systemtic Name: 4-chloranyl-2-(5-phenyl-1,3-benzothiazol-2-yl)benzoic acid Openeye Name: 4-chloro-2-(5-phenyl-1,3-benzothiazol-2-yl)benzoic acid CAS Name: 4-chloro-2-(5-phenyl-1,3-benzothiazol-2-yl)benzoic acid IUPAC Name: 4-chloro-2-(5-phenyl-1,3-benzothiazol-2-yl)benzoic acid Traditional Name: 4-chloro-2-(5-phenyl-1,3-benzothiazol-2-yl)benzoic acid Formula: C20H12ClNO2S MolecularWeight: 365.83278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)SC(=N3)C4=C(C=CC(=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)SC(=N3)C4=C(C=CC(=C4)Cl)C(=O)O

InChI

InChI=1S/C20H12ClNO2S/c21-14-7-8-15(20(23)24)16(11-14)19-22-17-10-13(6-9-18(17)25-19)12-4-2-1-3-5-12/h1-11H,(H,23,24)