sodium 2-[1,3-bis(oxidanylidene)inden-2-yl]-4H-quinoline-1-sulfonate

Systemtic Name: sodium 2-[1,3-bis(oxidanylidene)inden-2-yl]-4H-quinoline-1-sulfonate Openeye Name: sodium 2-(1,3-dioxoindan-2-yl)-4H-quinoline-1-sulfonate CAS Name: sodium 2-(1,3-dioxo-2-indenyl)-4H-quinoline-1-sulfonate IUPAC Name: sodium 2-(1,3-dioxoinden-2-yl)-4H-quinoline-1-sulfonate Traditional Name: sodium 2-(1,3-diketoindan-2-yl)-4H-quinoline-1-sulfonate Formula: C18H12NNaO5S MolecularWeight: 377.34635

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N(C2=CC=CC=C21)S(=O)(=O)[O-])C3C(=O)C4=CC=CC=C4C3=O.[Na+]

Isomeric SMILES

C1C=C(N(C2=CC=CC=C21)S(=O)(=O)[O-])C3C(=O)C4=CC=CC=C4C3=O.[Na+]

InChI

InChI=1S/C18H13NO5S.Na/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)25(22,23)24;/h1-8,10,16H,9H2,(H,22,23,24);/q;+1/p-1