2-[1,3-bis(oxidanylidene)-2-sulfo-inden-2-yl]-1H-quinoline-2-sulfonic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)-2-sulfo-inden-2-yl]-1H-quinoline-2-sulfonic acid Openeye Name: 2-(1,3-dioxo-2-sulfo-indan-2-yl)-1H-quinoline-2-sulfonic acid CAS Name: 2-(1,3-dioxo-2-sulfo-2-indenyl)-1H-quinoline-2-sulfonic acid IUPAC Name: 2-(1,3-dioxo-2-sulfoinden-2-yl)-1H-quinoline-2-sulfonic acid Traditional Name: 2-(1,3-diketo-2-sulfo-indan-2-yl)-1H-quinoline-2-sulfonic acid Formula: C18H13NO8S2 MolecularWeight: 435.42772

Click to see the large picture

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

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

InChI

InChI=1S/C18H13NO8S2/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)