3-(1,3-benzothiazol-2-yl)-4-[2-(1,3-benzothiazol-2-yl)-4-carboxy-phenyl]benzoic acid

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-4-[2-(1,3-benzothiazol-2-yl)-4-carboxy-phenyl]benzoic acid Openeye Name: 3-(1,3-benzothiazol-2-yl)-4-[2-(1,3-benzothiazol-2-yl)-4-carboxy-phenyl]benzoic acid CAS Name: 3-(1,3-benzothiazol-2-yl)-4-[2-(1,3-benzothiazol-2-yl)-4-carboxyphenyl]benzoic acid IUPAC Name: 3-(1,3-benzothiazol-2-yl)-4-[2-(1,3-benzothiazol-2-yl)-4-carboxyphenyl]benzoic acid Traditional Name: 3-(1,3-benzothiazol-2-yl)-4-[2-(1,3-benzothiazol-2-yl)-4-carboxy-phenyl]benzoic acid Formula: C28H16N2O4S2 MolecularWeight: 508.56764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)C(=O)O)C4=C(C=C(C=C4)C(=O)O)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)C(=O)O)C4=C(C=C(C=C4)C(=O)O)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C28H16N2O4S2/c31-27(32)15-9-11-17(19(13-15)25-29-21-5-1-3-7-23(21)35-25)18-12-10-16(28(33)34)14-20(18)26-30-22-6-2-4-8-24(22)36-26/h1-14H,(H,31,32)(H,33,34)