disodium 2-benzo[f]quinolin-3-yl-1,3-bis(oxidanylidene)indene-4,5-disulfonate

Systemtic Name: disodium 2-benzo[f]quinolin-3-yl-1,3-bis(oxidanylidene)indene-4,5-disulfonate Openeye Name: disodium 2-benzo[f]quinolin-3-yl-1,3-dioxo-indane-4,5-disulfonate CAS Name: disodium 2-(3-benzo[f]quinolinyl)-1,3-dioxoindene-4,5-disulfonate IUPAC Name: disodium 2-benzo[f]quinolin-3-yl-1,3-dioxoindene-4,5-disulfonate Traditional Name: disodium 2-benzo[f]quinolin-3-yl-1,3-diketo-indane-4,5-disulfonate Formula: C22H11NNa2O8S2 MolecularWeight: 527.43418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=CC(=N3)C4C(=O)C5=C(C4=O)C(=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=CC(=N3)C4C(=O)C5=C(C4=O)C(=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C22H13NO8S2.2Na/c24-20-14-7-10-17(32(26,27)28)22(33(29,30)31)18(14)21(25)19(20)16-9-6-13-12-4-2-1-3-11(12)5-8-15(13)23-16;;/h1-10,19H,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2