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Reference substance information

IUPAC name:
Reaction product of 1,1'-[methylenedi(4,1-phenylene)]di(1H-pyrrole-2,5-dione) and 3-aminobenzohydrazide, tetramers, comprising two molecules of 1,1'-[methylenedi(4,1-phenylene)]di(1H-pyrrole-2,5-dione) and two molecules of 3-aminobenzohydrazide

Related substances

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Identifier:
CAS number
Identity:
13676-54-5
Identifier:
CAS number
Identity:
14062-34-1

Molecular and structural information

Molecular formula:
C56H46N10O10
Molecular weight:
ca. 1 019.04
SMILES notation:
O=C(C1=CC=CC(NC2C(N(C3=CC=C(CC4=CC=C(N(C(C=C5)=O)C5=O)C=C4)C=C3)C(C2)=O)=O)=C1)NNC6C(N(C(C6)=O)C7=CC=C(C=C7)CC8=CC=C(C=C8)N(C(CC9NC%10=CC(C(NN)=O)=CC=C%10)=O)C9=O)=O
O=C(NNC1C(N(C2=CC=C(CC3=CC=C(N(C4=O)C(CC4NNC(C5=CC=CC(N)=C5)=O)=O)C=C3)C=C2)C(C1)=O)=O)C6=CC=CC(NC7C(N(C(C7)=O)C8=CC=C(C=C8)CC9=CC=C(C=C9)N%10C(C=CC%10=O)=O)=O)=C6
O=C1N(C2=CC=C(CC3=CC=C(N4C(C(CC4=O)NC5=CC(C(NNC6C(N(C(C6)=O)C7=CC=C(C=C7)CC8=CC=C(C=C8)N9C(C=CC9=O)=O)=O)=O)=CC=C5)=O)C=C3)C=C2)C(CC1NC%10=CC(C(NN)=O)=CC=C%10)=O
O=C(C=CC1=O)N1C(C=C2)=CC=C2CC(C=C3)=CC=C3N4C(CC(NNC(C5=CC=CC(NC(CC(N6C7=CC=C(CC8=CC=C(N(C9=O)C(CC9NNC(C%10=CC=CC(N)=C%10)=O)=O)C=C8)C=C7)=O)C6=O)=C5)=O)C4=O)=O
InChl:
InChI=1S/C56H46N10O10/c57-60-52(72)36-3-1-5-38(27-36)58-44-29-49(69)64(54(44)74)41-19-11-34(12-20-41)26-35-13-21-43(22-14-35)66-51(71)31-46(56(66)76)61-62-53(73)37-4-2-6-39(28-37)59-45-30-50(70)65(55(45)75)42-17-9-33(10-18-42)25-32-7-15-40(16-8-32)63-47(67)23-24-48(63)68/h1-24,27-28,44-46,58-59,61H,25-26,29-31,57H2,(H,60,72)(H,62,73)
InChI=1S/C56H46N10O10/c57-38-5-1-3-36(27-38)52(72)61-59-45-30-50(70)65(55(45)75)42-19-11-34(12-20-42)26-35-13-21-43(22-14-35)66-51(71)31-46(56(66)76)60-62-53(73)37-4-2-6-39(28-37)58-44-29-49(69)64(54(44)74)41-17-9-33(10-18-41)25-32-7-15-40(16-8-32)63-47(67)23-24-48(63)68/h1-24,27-28,44-46,58-60H,25-26,29-31,57H2,(H,61,72)(H,62,73)
InChI=1S/C56H46N10O10/c57-60-52(72)36-3-1-5-38(27-36)58-44-29-49(69)64(54(44)74)41-17-9-33(10-18-41)26-34-11-19-42(20-12-34)65-50(70)30-45(55(65)75)59-39-6-2-4-37(28-39)53(73)62-61-46-31-51(71)66(56(46)76)43-21-13-35(14-22-43)25-32-7-15-40(16-8-32)63-47(67)23-24-48(63)68/h1-24,27-28,44-46,58-59,61H,25-26,29-31,57H2,(H,60,72)(H,62,73)
InChI=1S/C56H46N10O10/c57-38-5-1-3-36(27-38)52(72)61-59-45-30-50(70)65(55(45)75)42-21-13-35(14-22-42)26-33-9-17-41(18-10-33)64-49(69)29-44(54(64)74)58-39-6-2-4-37(28-39)53(73)62-60-46-31-51(71)66(56(46)76)43-19-11-34(12-20-43)25-32-7-15-40(16-8-32)63-47(67)23-24-48(63)68/h1-24,27-28,44-46,58-60H,25-26,29-31,57H2,(H,61,72)(H,62,73)
Structural formula:
Chemical structure