1,3-bis(3-isocyanato-4-methyl-phenyl)urea; 1,6-diisocyanatohexane

Systemtic Name: 1,3-bis(3-isocyanato-4-methyl-phenyl)urea; 1,6-diisocyanatohexane Openeye Name: 1,3-bis(3-isocyanato-4-methyl-phenyl)urea; 1,6-diisocyanatohexane CAS Name: 1,3-bis(3-isocyanato-4-methylphenyl)urea; 1,6-diisocyanatohexane IUPAC Name: 1,3-bis(3-isocyanato-4-methylphenyl)urea; 1,6-diisocyanatohexane Traditional Name: 1,3-bis(3-isocyanato-4-methyl-phenyl)urea; 1,6-diisocyanatohexane Formula: C25H26N6O5 MolecularWeight: 490.51114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CC(=C(C=C2)C)N=C=O)N=C=O.C(CCCN=C=O)CCN=C=O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC(=C(C=C2)C)N=C=O)N=C=O.C(CCCN=C=O)CCN=C=O

InChI

InChI=1S/C17H14N4O3.C8H12N2O2/c1-11-3-5-13(7-15(11)18-9-22)20-17(24)21-14-6-4-12(2)16(8-14)19-10-23;11-7-9-5-3-1-2-4-6-10-8-12/h3-8H,1-2H3,(H2,20,21,24);1-6H2