5,6-bis[[3,4-bis(oxidanyl)phenyl]amino]isoindole-1,3-dione

Systemtic Name: 5,6-bis[[3,4-bis(oxidanyl)phenyl]amino]isoindole-1,3-dione Openeye Name: 5,6-bis(3,4-dihydroxyanilino)isoindoline-1,3-dione CAS Name: 5,6-bis(3,4-dihydroxyanilino)isoindole-1,3-dione IUPAC Name: 5,6-bis(3,4-dihydroxyanilino)isoindole-1,3-dione Traditional Name: 5,6-bis(3,4-dihydroxyanilino)isoindoline-1,3-quinone Formula: C20H15N3O6 MolecularWeight: 393.3496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=CC(=C(C=C4)O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=CC(=C(C=C4)O)O)O)O

InChI

InChI=1S/C20H15N3O6/c24-15-3-1-9(5-17(15)26)21-13-7-11-12(20(29)23-19(11)28)8-14(13)22-10-2-4-16(25)18(27)6-10/h1-8,21-22,24-27H,(H,23,28,29)