2-(4-bromophenyl)-6-sulfo-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-bromophenyl)-6-sulfo-quinoline-4-carboxylic acid Openeye Name: 2-(4-bromophenyl)-6-sulfo-quinoline-4-carboxylic acid CAS Name: 2-(4-bromophenyl)-6-sulfo-4-quinolinecarboxylic acid IUPAC Name: 2-(4-bromophenyl)-6-sulfoquinoline-4-carboxylic acid Traditional Name: 2-(4-bromophenyl)-6-sulfo-cinchoninic acid Formula: C16H10BrNO5S MolecularWeight: 408.2233

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)S(=O)(=O)O)C(=C2)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)S(=O)(=O)O)C(=C2)C(=O)O)Br

InChI

InChI=1S/C16H10BrNO5S/c17-10-3-1-9(2-4-10)15-8-13(16(19)20)12-7-11(24(21,22)23)5-6-14(12)18-15/h1-8H,(H,19,20)(H,21,22,23)