4-(5-carboxy-1,3-benzothiazol-2-yl)phthalic acid

Systemtic Name: 4-(5-carboxy-1,3-benzothiazol-2-yl)phthalic acid Openeye Name: 4-(5-carboxy-1,3-benzothiazol-2-yl)phthalic acid CAS Name: 4-(5-carboxy-1,3-benzothiazol-2-yl)phthalic acid IUPAC Name: 4-(5-carboxy-1,3-benzothiazol-2-yl)phthalic acid Traditional Name: 4-(5-carboxy-1,3-benzothiazol-2-yl)phthalic acid Formula: C16H9NO6S MolecularWeight: 343.31076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=NC3=C(S2)C=CC(=C3)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C2=NC3=C(S2)C=CC(=C3)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C16H9NO6S/c18-14(19)8-2-4-12-11(6-8)17-13(24-12)7-1-3-9(15(20)21)10(5-7)16(22)23/h1-6H,(H,18,19)(H,20,21)(H,22,23)