1,3-Isobenzofurandione, 4-[4-[1-[4-[(1,3-dihydro-1,3-dioxo-5-isobenzofuranyl)oxy]phenyl]-1-methylethyl]phenoxy]-, polymer with 1,2-benzenediamine, 1,3-benzenediamine, 1,4-benzenediamine, 1H,3H-benzo[1,2-c:4,5-c′]difuran-1,3,5,7-tetrone, 1,3-isobenzofurandione, 4,4′-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis[1,3-isobenzofurandione] and 5,5′-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis[1,3-isobenzofurandione]

CAS Name

1H,3H-Benzo[1,2-c:4,5-c′]difuran-1,3,5,7-tetrone, polymer with 1,2-benzenediamine, 1,3-benzenediamine, 1,4-benzenediamine, 4-[4-[1-[4-[(1,3-dihydro-1,3-dioxo-5-isobenzofuranyl)oxy]phenyl]-1-methylethyl]phenoxy]-1,3-isobenzofurandione, 1,3-isobenzofurandione, 4,4′-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis[1,3-isobenzofurandione] and 5,5′-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis[1,3-isobenzofurandione]

Molecular Formula

C129H90N60O33

Other Names and Identifiers

InChI

InChI=1S/3C31H20O8.C10H2O6.C8H4O3.3C6H8N2/c1-31(2,17-3-7-19(8-4-17)36-21-11-13-23-25(15-21)29(34)38-27(23)32)18-5-9-20(10-6-18)37-22-12-14-24-26(16-22)30(35)39-28(24)33;1-31(2,17-9-13-19(14-10-17)36-23-7-3-5-21-25(23)29(34)38-27(21)32)18-11-15-20(16-12-18)37-24-8-4-6-22-26(24)30(35)39-28(22)33;1-31(2,17-6-10-19(11-7-17)36-21-14-15-22-24(16-21)29(34)38-27(22)32)18-8-12-20(13-9-18)37-25-5-3-4-23-26(25)30(35)39-28(23)33;11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7;9-7-5-3-1-2-4-6(5)8(10)11-7;7-5-1-2-6(8)4-3-5;7-5-2-1-3-6(8)4-5;7-5-3-1-2-4-6(5)8/h3*3-16H,1-2H3;1-2H;1-4H;3*1-4H,7-8H2

InChIKey

InChIKey=JLCXJBIYIXBQFW-UHFFFAOYSA-N

SMILES

O(C1=C2C(C(=O)OC2=O)=CC=C1)C3=CC=C(C(C)(C)C4=CC=C(OC=5C=C6C(=CC5)C(=O)OC6=O)C=C4)C=C3.O(C1=C2C(C(=O)OC2=O)=CC=C1)C3=CC=C(C(C)(C)C4=CC=C(OC5=C6C(C(=O)OC6=O)=CC=C5)C=C4)C=C3.O=C1C=2C(C(=O)O1)=CC=C(OC3=CC=C(C(C)(C)C4=CC=C(OC=5C=C6C(=CC5)C(=O)OC6=O)C=C4)C=C3)C2.NC1=CC(N)=CC=C1.NC1=CC=C(N)C=C1.NC1=C(N)C=CC=C1.O=C1C=2C(=CC3=C(C2)C(=O)OC3=O)C(=O)O1.O=C1C=2C(C(=O)O1)=CC=CC2

Canonical SMILES

O=C1OC(=O)C=2C=CC=CC12.O=C1OC(=O)C2=CC(OC3=CC=C(C=C3)C(C4=CC=C(OC5=CC=C6C(=O)OC(=O)C6=C5)C=C4)(C)C)=CC=C12.O=C1OC(=O)C2=CC(OC3=CC=C(C=C3)C(C4=CC=C(OC5=CC=CC=6C(=O)OC(=O)C56)C=C4)(C)C)=CC=C12.O=C1OC(=O)C=2C(OC3=CC=C(C=C3)C(C4=CC=C(OC5=CC=CC=6C(=O)OC(=O)C56)C=C4)(C)C)=CC=CC12.O=C1OC(=O)C=2C=C3C(=O)OC(=O)C3=CC12.NC1=CC=C(N)C=C1.NC1=CC=CC(N)=C1.NC=1C=CC=CC1N

Other Names for this Substance