2-Isocyanato-1,3-bis[[2-isocyanato-3-[(2-isocyanatophenyl)methyl]phenyl]methyl]benzene

CAS Registry Number®

85423-11-6

CAS Name

2-Isocyanato-1,3-bis[[2-isocyanato-3-[(2-isocyanatophenyl)methyl]phenyl]methyl]benzene

Molecular Formula

C39H25N5O5

Molecular Mass

643.65

Cite this Page

2-Isocyanato-1,3-bis[[2-isocyanato-3-[(2-isocyanatophenyl)methyl]phenyl]methyl]benzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85423-11-6 (retrieved 2024-11-27) (CAS RN: 85423-11-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H25N5O5/c45-22-40-35-16-3-1-8-27(35)18-29-10-5-12-31(37(29)42-24-47)20-33-14-7-15-34(39(33)44-26-49)21-32-13-6-11-30(38(32)43-25-48)19-28-9-2-4-17-36(28)41-23-46/h1-17H,18-21H2

InChIKey

InChIKey=AHXPEHBCIOCGOK-UHFFFAOYSA-N

SMILES

N(=C=O)C1=C(CC2=C(N=C=O)C(CC3=C(N=C=O)C=CC=C3)=CC=C2)C=CC=C1CC4=C(N=C=O)C(CC5=C(N=C=O)C=CC=C5)=CC=C4

Canonical SMILES

O=C=NC=1C=CC=CC1CC2=CC=CC(=C2N=C=O)CC3=CC=CC(=C3N=C=O)CC=4C=CC=C(C4N=C=O)CC=5C=CC=CC5N=C=O

Other Names for this Substance

  • Benzene, 2-isocyanato-1,3-bis[[2-isocyanato-3-[(2-isocyanatophenyl)methyl]phenyl]methyl]-
  • 2-Isocyanato-1,3-bis[[2-isocyanato-3-[(2-isocyanatophenyl)methyl]phenyl]methyl]benzene

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