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1,1,1,3-tetraisocyanatopropane; tetraphenylene

1,1,1,3-tetraisocyanatopropane; tetraphenylene

Systemtic Name:1,1,1,3-tetraisocyanatopropane; tetraphenylene
Openeye Name:1,1,1,3-tetraisocyanatopropane; tetraphenylene
CAS Name:1,1,1,3-tetraisocyanatopropane; tetraphenylene
IUPAC Name:1,1,1,3-tetraisocyanatopropane; tetraphenylene
Traditional Name:1,1,1,3-tetraisocyanatopropane; tetraphenylene
Formula: C31H20N4O4
MolecularWeight: 512.5149
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3C4=CC=CC=C4C5=CC=CC=C25.C(CN=C=O)C(N=C=O)(N=C=O)N=C=O


Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3C4=CC=CC=C4C5=CC=CC=C25.C(CN=C=O)C(N=C=O)(N=C=O)N=C=O


InChI

InChI=1S/C24H16.C7H4N4O4/c1-2-10-18-17(9-1)19-11-3-4-13-21(19)23-15-7-8-16-24(23)22-14-6-5-12-20(18)22;12-3-8-2-1-7(9-4-13,10-5-14)11-6-15/h1-16H;1-2H2


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