2-(3,4-dicarboxyphenyl)-1,3-benzothiazole-5,6-dicarboxylic acid

Systemtic Name: 2-(3,4-dicarboxyphenyl)-1,3-benzothiazole-5,6-dicarboxylic acid Openeye Name: 2-(3,4-dicarboxyphenyl)-1,3-benzothiazole-5,6-dicarboxylic acid CAS Name: 2-(3,4-dicarboxyphenyl)-1,3-benzothiazole-5,6-dicarboxylic acid IUPAC Name: 2-(3,4-dicarboxyphenyl)-1,3-benzothiazole-5,6-dicarboxylic acid Traditional Name: 2-(3,4-dicarboxyphenyl)-1,3-benzothiazole-5,6-dicarboxylic acid Formula: C17H9NO8S MolecularWeight: 387.32026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H9NO8S/c19-14(20)7-2-1-6(3-8(7)15(21)22)13-18-11-4-9(16(23)24)10(17(25)26)5-12(11)27-13/h1-5H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)