4,5-bis(chloranyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)benzoic acid

Systemtic Name: 4,5-bis(chloranyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)benzoic acid Openeye Name: 4,5-dichloro-2-(6-phenyl-1,3-benzothiazol-2-yl)benzoic acid CAS Name: 4,5-dichloro-2-(6-phenyl-1,3-benzothiazol-2-yl)benzoic acid IUPAC Name: 4,5-dichloro-2-(6-phenyl-1,3-benzothiazol-2-yl)benzoic acid Traditional Name: 4,5-dichloro-2-(6-phenyl-1,3-benzothiazol-2-yl)benzoic acid Formula: C20H11Cl2NO2S MolecularWeight: 400.27784

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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(=C(C=C4C(=O)O)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H11Cl2NO2S/c21-15-9-13(14(20(24)25)10-16(15)22)19-23-17-7-6-12(8-18(17)26-19)11-4-2-1-3-5-11/h1-10H,(H,24,25)