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Reference substances

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General information

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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, pentamers, comprising three molecules of 1,1'-[methylenedi(4,1-phenylene)]di(1H-pyrrole-2,5-dione) and two molecules of 3-aminobenzohydrazide

Related substances

Identifiers of related substancesopen allclose all
Identifier:
CAS number
Identity:
13676-54-5
Identifier:
CAS number
Identity:
14062-34-1

Molecular and structural information

Molecular formula:
C77H60N12O14
Molecular weight:
ca. 1 377.4
SMILES notation:
O=C(N1C2=CC=C(C=C2)CC3=CC=C(C=C3)N(C(C=C4)=O)C4=O)C(NC5=CC(C(NNC(C6)C(N(C6=O)C(C=C7)=CC=C7CC(C=C8)=CC=C8N9C(C(NC%10=CC(C(NNC(C%11)C(N(C%11=O)C(C=C%12)=CC=C%12CC(C=C%13)=CC=C%13N%14C(C=CC%14=O)=O)=O)=O)=CC=C%10)CC9=O)=O)=O)=O)=CC=C5)CC1=O
O=C(N1C2=CC=C(C=C2)CC3=CC=C(C=C3)N(C(C=C4)=O)C4=O)C(NC5=CC(C(NNC(C6)C(N(C6=O)C(C=C7)=CC=C7CC(C=C8)=CC=C8N9C(C(NNC(C%10=CC=CC(NC(C%11)C(N(C%11=O)C(C=C%12)=CC=C%12CC(C=C%13)=CC=C%13N%14C(C=CC%14=O)=O)=O)=C%10)=O)CC9=O)=O)=O)=O)=CC=C5)CC1=O
O=C(N1C2=CC=C(C=C2)CC3=CC=C(C=C3)N(C(C=C4)=O)C4=O)C(NNC(C5=CC=CC(NC(C6)C(N(C6=O)C(C=C7)=CC=C7CC(C=C8)=CC=C8N9C(C(NC%10=CC(C(NNC(C%11)C(N(C%11=O)C(C=C%12)=CC=C%12CC(C=C%13)=CC=C%13N%14C(C=CC%14=O)=O)=O)=O)=CC=C%10)CC9=O)=O)=O)=C5)=O)CC1=O
InChl:
InChI=1S/C77H60N12O14/c90-64-31-32-65(91)84(64)54-19-7-44(8-20-54)35-46-11-23-56(24-12-46)86-68(94)40-60(74(86)100)78-52-5-1-3-50(38-52)73(99)83-81-63-43-71(97)89(77(63)103)59-29-17-49(18-30-59)37-47-13-25-57(26-14-47)87-69(95)41-61(75(87)101)79-53-6-2-4-51(39-53)72(98)82-80-62-42-70(96)88(76(62)102)58-27-15-48(16-28-58)36-45-9-21-55(22-10-45)85-66(92)33-34-67(85)93/h1-34,38-39,60-63,78-81H,35-37,40-43H2,(H,82,98)(H,83,99)
InChI=1S/C77H60N12O14/c90-64-31-32-65(91)84(64)54-19-7-44(8-20-54)35-46-11-23-56(24-12-46)86-68(94)40-60(74(86)100)78-52-5-1-3-50(38-52)72(98)82-80-62-42-70(96)88(76(62)102)58-27-15-48(16-28-58)37-49-17-29-59(30-18-49)89-71(97)43-63(77(89)103)81-83-73(99)51-4-2-6-53(39-51)79-61-41-69(95)87(75(61)101)57-25-13-47(14-26-57)36-45-9-21-55(22-10-45)85-66(92)33-34-67(85)93/h1-34,38-39,60-63,78-81H,35-37,40-43H2,(H,82,98)(H,83,99)
InChI=1S/C77H60N12O14/c90-64-31-32-65(91)84(64)54-19-7-44(8-20-54)35-48-15-27-58(28-16-48)88-70(96)42-62(76(88)102)80-82-72(98)50-3-1-5-52(38-50)78-60-40-68(94)86(74(60)100)56-23-11-46(12-24-56)37-47-13-25-57(26-14-47)87-69(95)41-61(75(87)101)79-53-6-2-4-51(39-53)73(99)83-81-63-43-71(97)89(77(63)103)59-29-17-49(18-30-59)36-45-9-21-55(22-10-45)85-66(92)33-34-67(85)93/h1-34,38-39,60-63,78-81H,35-37,40-43H2,(H,82,98)(H,83,99)
Structural formula:
Chemical structure