disodium 2-[1,3-bis(oxidanylidene)inden-2-yl]quinoline-6,8-disulfonate

Systemtic Name: disodium 2-[1,3-bis(oxidanylidene)inden-2-yl]quinoline-6,8-disulfonate Openeye Name: disodium 2-(1,3-dioxoindan-2-yl)quinoline-6,8-disulfonate CAS Name: disodium 2-(1,3-dioxo-2-indenyl)quinoline-6,8-disulfonate IUPAC Name: disodium 2-(1,3-dioxoinden-2-yl)quinoline-6,8-disulfonate Traditional Name: disodium 2-(1,3-diketoindan-2-yl)quinoline-6,8-disulfonate Formula: C18H9NNa2O8S2 MolecularWeight: 477.3755

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(C2=O)C3=NC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(C2=O)C3=NC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H11NO8S2.2Na/c20-17-11-3-1-2-4-12(11)18(21)15(17)13-6-5-9-7-10(28(22,23)24)8-14(16(9)19-13)29(25,26)27;;/h1-8,15H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2