3,3-bis[4-(2,4-dinitrophenoxy)phenyl]-2-benzofuran-1-one

Systemtic Name: 3,3-bis[4-(2,4-dinitrophenoxy)phenyl]-2-benzofuran-1-one Openeye Name: 3,3-bis[4-(2,4-dinitrophenoxy)phenyl]isobenzofuran-1-one CAS Name: 3,3-bis[4-(2,4-dinitrophenoxy)phenyl]-1-isobenzofuranone IUPAC Name: 3,3-bis[4-(2,4-dinitrophenoxy)phenyl]-2-benzofuran-1-one Traditional Name: 3,3-bis[4-(2,4-dinitrophenoxy)phenyl]phthalide Formula: C32H18N4O12 MolecularWeight: 650.50492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C5=CC=C(C=C5)OC6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C5=CC=C(C=C5)OC6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C32H18N4O12/c37-31-25-3-1-2-4-26(25)32(48-31,19-5-11-23(12-6-19)46-29-15-9-21(33(38)39)17-27(29)35(42)43)20-7-13-24(14-8-20)47-30-16-10-22(34(40)41)18-28(30)36(44)45/h1-18H