2-[4-(6-carboxy-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-[4-(6-carboxy-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[4-(6-carboxy-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[4-(6-carboxy-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[4-(6-carboxy-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[4-(6-carboxy-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole-6-carboxylic acid Formula: C22H12N2O4S2 MolecularWeight: 432.47168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)C(=O)O)C4=NC5=C(S4)C=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)C(=O)O)C4=NC5=C(S4)C=C(C=C5)C(=O)O

InChI

InChI=1S/C22H12N2O4S2/c25-21(26)13-5-7-15-17(9-13)29-19(23-15)11-1-2-12(4-3-11)20-24-16-8-6-14(22(27)28)10-18(16)30-20/h1-10H,(H,25,26)(H,27,28)