2-[2-[1,3-bis(oxidanylidene)inden-2-yl]quinolin-6-yl]-1,3-benzothiazole-7-sulfonic acid

Systemtic Name: 2-[2-[1,3-bis(oxidanylidene)inden-2-yl]quinolin-6-yl]-1,3-benzothiazole-7-sulfonic acid Openeye Name: 2-[2-(1,3-dioxoindan-2-yl)-6-quinolyl]-1,3-benzothiazole-7-sulfonic acid CAS Name: 2-[2-(1,3-dioxo-2-indenyl)-6-quinolinyl]-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 2-[2-(1,3-dioxoinden-2-yl)quinolin-6-yl]-1,3-benzothiazole-7-sulfonic acid Traditional Name: 2-[2-(1,3-diketoindan-2-yl)-6-quinolyl]-1,3-benzothiazole-7-sulfonic acid Formula: C25H14N2O5S2 MolecularWeight: 486.51906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(C2=O)C3=NC4=C(C=C3)C=C(C=C4)C5=NC6=C(S5)C(=CC=C6)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(C2=O)C3=NC4=C(C=C3)C=C(C=C4)C5=NC6=C(S5)C(=CC=C6)S(=O)(=O)O

InChI

InChI=1S/C25H14N2O5S2/c28-22-15-4-1-2-5-16(15)23(29)21(22)18-11-8-13-12-14(9-10-17(13)26-18)25-27-19-6-3-7-20(24(19)33-25)34(30,31)32/h1-12,21H,(H,30,31,32)