1,3-bis(oxidanylidene)-2-(4-sulfoquinolin-2-yl)indene-4,6-disulfonic acid

Systemtic Name: 1,3-bis(oxidanylidene)-2-(4-sulfoquinolin-2-yl)indene-4,6-disulfonic acid Openeye Name: 1,3-dioxo-2-(4-sulfo-2-quinolyl)indane-4,6-disulfonic acid CAS Name: 1,3-dioxo-2-(4-sulfo-2-quinolinyl)indene-4,6-disulfonic acid IUPAC Name: 1,3-dioxo-2-(4-sulfoquinolin-2-yl)indene-4,6-disulfonic acid Traditional Name: 1,3-diketo-2-(4-sulfo-2-quinolyl)indane-4,6-disulfonic acid Formula: C18H11NO11S3 MolecularWeight: 513.47504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3C(=O)C4=CC(=CC(=C4C3=O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3C(=O)C4=CC(=CC(=C4C3=O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

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