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

Systemtic Name: 2-[2-[1,3-bis(oxidanylidene)inden-2-yl]quinolin-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Openeye Name: 2-[2-(1,3-dioxoindan-2-yl)-6-quinolyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid CAS Name: 2-[2-(1,3-dioxo-2-indenyl)-6-quinolinyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 2-[2-(1,3-dioxoinden-2-yl)quinolin-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Traditional Name: 2-[2-(1,3-diketoindan-2-yl)-6-quinolyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Formula: C26H16N2O5S2 MolecularWeight: 500.54564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(C=C4)C5C(=O)C6=CC=CC=C6C5=O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(C=C4)C5C(=O)C6=CC=CC=C6C5=O)S(=O)(=O)O

InChI

InChI=1S/C26H16N2O5S2/c1-13-6-9-20-24(25(13)35(31,32)33)34-26(28-20)15-8-10-18-14(12-15)7-11-19(27-18)21-22(29)16-4-2-3-5-17(16)23(21)30/h2-12,21H,1H3,(H,31,32,33)