dilithium 2-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-bis(oxidanylidene)indene-5-carboxylate

Systemtic Name: dilithium 2-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-bis(oxidanylidene)indene-5-carboxylate Openeye Name: dilithium 2-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)-2-quinolyl]-1,3-dioxo-indane-5-carboxylate CAS Name: dilithium 2-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)-2-quinolinyl]-1,3-dioxo-5-indenecarboxylate IUPAC Name: dilithium 2-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindene-5-carboxylate Traditional Name: dilithium 1,3-diketo-2-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)-2-quinolyl]indane-5-carboxylate Formula: C27H14Li2N2O7S2 MolecularWeight: 556.42126

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(C=C4)C5C(=O)C6=C(C5=O)C=C(C=C6)C(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

[Li+].[Li+].CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(C=C4)C5C(=O)C6=C(C5=O)C=C(C=C6)C(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C27H16N2O7S2.2Li/c1-12-2-7-20-24(25(12)38(34,35)36)37-26(29-20)14-5-8-18-13(10-14)4-9-19(28-18)21-22(30)16-6-3-15(27(32)33)11-17(16)23(21)31;;/h2-11,21H,1H3,(H,32,33)(H,34,35,36);;/q;2*+1/p-2