disodium 2-[1,3-bis(oxidanylidene)-2-sulfonato-inden-2-yl]-1H-quinoline-2-sulfonate

Systemtic Name: disodium 2-[1,3-bis(oxidanylidene)-2-sulfonato-inden-2-yl]-1H-quinoline-2-sulfonate Openeye Name: disodium 2-(1,3-dioxo-2-sulfonato-indan-2-yl)-1H-quinoline-2-sulfonate CAS Name: disodium 2-(1,3-dioxo-2-sulfonato-2-indenyl)-1H-quinoline-2-sulfonate IUPAC Name: disodium 2-(1,3-dioxo-2-sulfonatoinden-2-yl)-1H-quinoline-2-sulfonate Traditional Name: disodium 2-(1,3-diketo-2-sulfonato-indan-2-yl)-1H-quinoline-2-sulfonate Formula: C18H11NNa2O8S2 MolecularWeight: 479.39138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(N2)(C3(C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(N2)(C3(C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H13NO8S2.2Na/c20-15-12-6-2-3-7-13(12)16(21)18(15,29(25,26)27)17(28(22,23)24)10-9-11-5-1-4-8-14(11)19-17;;/h1-10,19H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2