2-[(2R,5S)-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2,5-bis(oxidanyl)hexyl]isoindole-1,3-dione

Systemtic Name: 2-[(2R,5S)-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2,5-bis(oxidanyl)hexyl]isoindole-1,3-dione Openeye Name: 2-[(2R,5S)-6-(1,3-dioxoisoindolin-2-yl)-2,5-dihydroxy-hexyl]isoindoline-1,3-dione CAS Name: 2-[(2R,5S)-6-(1,3-dioxo-2-isoindolyl)-2,5-dihydroxyhexyl]isoindole-1,3-dione IUPAC Name: 2-[(2R,5S)-6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione Traditional Name: 2-[(2R,5S)-2,5-dihydroxy-6-phthalimido-hexyl]isoindoline-1,3-quinone Formula: C22H20N2O6 MolecularWeight: 408.404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CCC(CN3C(=O)C4=CC=CC=C4C3=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C[C@@H](CC[C@@H](CN3C(=O)C4=CC=CC=C4C3=O)O)O

InChI

InChI=1S/C22H20N2O6/c25-13(11-23-19(27)15-5-1-2-6-16(15)20(23)28)9-10-14(26)12-24-21(29)17-7-3-4-8-18(17)22(24)30/h1-8,13-14,25-26H,9-12H2/t13-,14+