4,6-bis(1,3-benzothiazol-2-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 4,6-bis(1,3-benzothiazol-2-yl)benzene-1,3-dicarboxylic acid Openeye Name: 4,6-bis(1,3-benzothiazol-2-yl)benzene-1,3-dicarboxylic acid CAS Name: 4,6-bis(1,3-benzothiazol-2-yl)benzene-1,3-dicarboxylic acid IUPAC Name: 4,6-bis(1,3-benzothiazol-2-yl)benzene-1,3-dicarboxylic acid Traditional Name: 4,6-bis(1,3-benzothiazol-2-yl)isophthalic acid Formula: C22H12N2O4S2 MolecularWeight: 432.47168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3C(=O)O)C(=O)O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3C(=O)O)C(=O)O)C4=NC5=CC=CC=C5S4

InChI

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