2-phenyl-5,7-disulfo-benzo[h]quinoline-4-carboxylic acid

Systemtic Name: 2-phenyl-5,7-disulfo-benzo[h]quinoline-4-carboxylic acid Openeye Name: 2-phenyl-5,7-disulfo-benzo[h]quinoline-4-carboxylic acid CAS Name: 2-phenyl-5,7-disulfo-4-benzo[h]quinolinecarboxylic acid IUPAC Name: 2-phenyl-5,7-disulfobenzo[h]quinoline-4-carboxylic acid Traditional Name: 2-phenyl-5,7-disulfo-benzo[h]quinoline-4-carboxylic acid Formula: C20H13NO8S2 MolecularWeight: 459.44912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C4C=CC=C(C4=CC(=C3C(=C2)C(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C4C=CC=C(C4=CC(=C3C(=C2)C(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H13NO8S2/c22-20(23)14-9-15(11-5-2-1-3-6-11)21-19-12-7-4-8-16(30(24,25)26)13(12)10-17(18(14)19)31(27,28)29/h1-10H,(H,22,23)(H,24,25,26)(H,27,28,29)