sodium 2-[1,3-bis(oxidanylidene)inden-2-yl]quinoline-8-sulfonate

Systemtic Name: sodium 2-[1,3-bis(oxidanylidene)inden-2-yl]quinoline-8-sulfonate Openeye Name: sodium 2-(1,3-dioxoindan-2-yl)quinoline-8-sulfonate CAS Name: sodium 2-(1,3-dioxo-2-indenyl)-8-quinolinesulfonate IUPAC Name: sodium 2-(1,3-dioxoinden-2-yl)quinoline-8-sulfonate Traditional Name: sodium 2-(1,3-diketoindan-2-yl)quinoline-8-sulfonate Formula: C18H10NNaO5S MolecularWeight: 375.33047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(C2=O)C3=NC4=C(C=CC=C4S(=O)(=O)[O-])C=C3.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(C2=O)C3=NC4=C(C=CC=C4S(=O)(=O)[O-])C=C3.[Na+]

InChI

InChI=1S/C18H11NO5S.Na/c20-17-11-5-1-2-6-12(11)18(21)15(17)13-9-8-10-4-3-7-14(16(10)19-13)25(22,23)24;/h1-9,15H,(H,22,23,24);/q;+1/p-1