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

Systemtic Name: 2-isocyanato-1,3-bis[[2-isocyanato-3-[(2-isocyanatophenyl)methyl]phenyl]methyl]benzene Openeye Name: 2-isocyanato-1,3-bis[[2-isocyanato-3-[(2-isocyanatophenyl)methyl]phenyl]methyl]benzene CAS Name: 2-isocyanato-1,3-bis[[2-isocyanato-3-[(2-isocyanatophenyl)methyl]phenyl]methyl]benzene IUPAC Name: 2-isocyanato-1,3-bis[[2-isocyanato-3-[(2-isocyanatophenyl)methyl]phenyl]methyl]benzene Traditional Name: 2-isocyanato-1,3-bis[2-isocyanato-3-(2-isocyanatobenzyl)benzyl]benzene Formula: C39H25N5O5 MolecularWeight: 643.6463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=CC=CC(=C4N=C=O)CC5=CC=CC=C5N=C=O)N=C=O)N=C=O)N=C=O

Isomeric SMILES

C1=CC=C(C(=C1)CC2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=CC=CC(=C4N=C=O)CC5=CC=CC=C5N=C=O)N=C=O)N=C=O)N=C=O

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