disodium 2-quinolin-2-ylindene-1,3-dione sulfite

Systemtic Name: disodium 2-quinolin-2-ylindene-1,3-dione sulfite Openeye Name: disodium 2-(2-quinolyl)indane-1,3-dione sulfite CAS Name: disodium 2-(2-quinolinyl)indene-1,3-dione sulfite IUPAC Name: disodium 2-quinolin-2-ylindene-1,3-dione sulfite Traditional Name: disodium 2-(2-quinolyl)indane-1,3-quinone sulfite Formula: C18H11NNa2O5S MolecularWeight: 399.32818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C3C(=O)C4=CC=CC=C4C3=O.[O-]S(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C3C(=O)C4=CC=CC=C4C3=O.[O-]S(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H11NO2.2Na.H2O3S/c20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19-15;;;1-4(2)3/h1-10,16H;;;(H2,1,2,3)/q;2*+1;/p-2