2-[1,3-bis(oxidanylidene)-5-sulfo-inden-2-yl]quinoline-6,8-disulfonic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)-5-sulfo-inden-2-yl]quinoline-6,8-disulfonic acid Openeye Name: 2-(1,3-dioxo-5-sulfo-indan-2-yl)quinoline-6,8-disulfonic acid CAS Name: 2-(1,3-dioxo-5-sulfo-2-indenyl)quinoline-6,8-disulfonic acid IUPAC Name: 2-(1,3-dioxo-5-sulfoinden-2-yl)quinoline-6,8-disulfonic acid Traditional Name: 2-(1,3-diketo-5-sulfo-indan-2-yl)quinoline-6,8-disulfonic acid Formula: C18H11NO11S3 MolecularWeight: 513.47504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)C3C(=O)C4=C(C3=O)C=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC(=NC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)C3C(=O)C4=C(C3=O)C=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C18H11NO11S3/c20-17-11-3-2-9(31(22,23)24)6-12(11)18(21)15(17)13-4-1-8-5-10(32(25,26)27)7-14(16(8)19-13)33(28,29)30/h1-7,15H,(H,22,23,24)(H,25,26,27)(H,28,29,30)