2-[1,3-bis(oxidanylidene)-5-sulfo-inden-2-yl]quinoline-6-sulfonic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)-5-sulfo-inden-2-yl]quinoline-6-sulfonic acid Openeye Name: 2-(1,3-dioxo-5-sulfo-indan-2-yl)quinoline-6-sulfonic acid CAS Name: 2-(1,3-dioxo-5-sulfo-2-indenyl)-6-quinolinesulfonic acid IUPAC Name: 2-(1,3-dioxo-5-sulfoinden-2-yl)quinoline-6-sulfonic acid Traditional Name: 2-(1,3-diketo-5-sulfo-indan-2-yl)quinoline-6-sulfonic acid Formula: C18H11NO8S2 MolecularWeight: 433.41184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)C(=O)C(C2=O)C3=NC4=C(C=C3)C=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)C(=O)C(C2=O)C3=NC4=C(C=C3)C=C(C=C4)S(=O)(=O)O

InChI

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