1,3-bis(oxidanylidene)-2-(2-oxidanyl-5-sulfamoyl-phenyl)benzo[de]isoquinoline-6-carboxylic acid

Systemtic Name: 1,3-bis(oxidanylidene)-2-(2-oxidanyl-5-sulfamoyl-phenyl)benzo[de]isoquinoline-6-carboxylic acid Openeye Name: 2-(2-hydroxy-5-sulfamoyl-phenyl)-1,3-dioxo-benzo[de]isoquinoline-6-carboxylic acid CAS Name: 2-(2-hydroxy-5-sulfamoylphenyl)-1,3-dioxo-6-benzo[de]isoquinolinecarboxylic acid IUPAC Name: 2-(2-hydroxy-5-sulfamoylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid Traditional Name: 2-(2-hydroxy-5-sulfamoyl-phenyl)-1,3-diketo-benzo[de]isoquinoline-6-carboxylic acid Formula: C19H12N2O7S MolecularWeight: 412.37278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)C4=C(C=CC(=C4)S(=O)(=O)N)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)C4=C(C=CC(=C4)S(=O)(=O)N)O)C(=O)O

InChI

InChI=1S/C19H12N2O7S/c20-29(27,28)9-4-7-15(22)14(8-9)21-17(23)12-3-1-2-10-11(19(25)26)5-6-13(16(10)12)18(21)24/h1-8,22H,(H,25,26)(H2,20,27,28)