C,C′-[2-Ethyl-2-[[[[(3-isocyanato-4-methylphenyl)amino]carbonyl]oxy]methyl]-1,3-propanediyl] bis[N-(3-isocyanato-4-methylphenyl)carbamate]

CAS Registry Number®

1431-54-5
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CAS Name

C,C′-[2-Ethyl-2-[[[[(3-isocyanato-4-methylphenyl)amino]carbonyl]oxy]methyl]-1,3-propanediyl] bis[N-(3-isocyanato-4-methylphenyl)carbamate]

Molecular Formula

C33H32N6O9

Molecular Mass

656.64

Cite this Page

C,C′-[2-Ethyl-2-[[[[(3-isocyanato-4-methylphenyl)amino]carbonyl]oxy]methyl]-1,3-propanediyl] bis[N-(3-isocyanato-4-methylphenyl)carbamate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1431-54-5 (retrieved 2024-06-26) (CAS RN: 1431-54-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H32N6O9/c1-5-33(15-46-30(43)37-24-9-6-21(2)27(12-24)34-18-40,16-47-31(44)38-25-10-7-22(3)28(13-25)35-19-41)17-48-32(45)39-26-11-8-23(4)29(14-26)36-20-42/h6-14H,5,15-17H2,1-4H3,(H,37,43)(H,38,44)(H,39,45)

InChIKey

InChIKey=XHLFUMPVVXAFKO-UHFFFAOYSA-N

SMILES

C(COC(NC1=CC(N=C=O)=C(C)C=C1)=O)(COC(NC2=CC(N=C=O)=C(C)C=C2)=O)(COC(NC3=CC(N=C=O)=C(C)C=C3)=O)CC

Canonical SMILES

O=C=NC1=CC(=CC=C1C)NC(=O)OCC(COC(=O)NC2=CC=C(C(N=C=O)=C2)C)(COC(=O)NC3=CC=C(C(N=C=O)=C3)C)CC

Other Names for this Substance

  • Carbamic acid, N-(3-isocyanato-4-methylphenyl)-, C,C′-[2-ethyl-2-[[[[(3-isocyanato-4-methylphenyl)amino]carbonyl]oxy]methyl]-1,3-propanediyl] ester
  • Carbanilic acid, 3-isocyanato-4-methyl-, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
  • Carbamic acid, (3-isocyanato-4-methylphenyl)-, 2-ethyl-2-[[[[(3-isocyanato-4-methylphenyl)amino]carbonyl]oxy]methyl]-1,3-propanediyl ester
  • C,C′-[2-Ethyl-2-[[[[(3-isocyanato-4-methylphenyl)amino]carbonyl]oxy]methyl]-1,3-propanediyl] bis[N-(3-isocyanato-4-methylphenyl)carbamate]
  • Trimethylolpropane tris[(3-isocyanato-4-methylphenyl)carbamate]

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Deleted or Replaced CAS Registry Numbers

121257-94-1, 126491-29-0, 136508-95-7, 25407-28-7