2,4-diisocyanato-1,3,5-tri(propan-2-yl)benzene; 2-isocyanato-1,3-di(propan-2-yl)benzene

Systemtic Name: 2,4-diisocyanato-1,3,5-tri(propan-2-yl)benzene; 2-isocyanato-1,3-di(propan-2-yl)benzene Openeye Name: 2,4-diisocyanato-1,3,5-triisopropyl-benzene; 2-isocyanato-1,3-diisopropyl-benzene CAS Name: 2,4-diisocyanato-1,3,5-tri(propan-2-yl)benzene; 2-isocyanato-1,3-di(propan-2-yl)benzene IUPAC Name: 2,4-diisocyanato-1,3,5-tri(propan-2-yl)benzene; 2-isocyanato-1,3-di(propan-2-yl)benzene Traditional Name: 2,4-diisocyanato-1,3,5-triisopropyl-benzene; 2-isocyanato-1,3-diisopropyl-benzene Formula: C30H39N3O3 MolecularWeight: 489.64896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)N=C=O.CC(C)C1=CC(=C(C(=C1N=C=O)C(C)C)N=C=O)C(C)C

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)N=C=O.CC(C)C1=CC(=C(C(=C1N=C=O)C(C)C)N=C=O)C(C)C

InChI

InChI=1S/C17H22N2O2.C13H17NO/c1-10(2)13-7-14(11(3)4)17(19-9-21)15(12(5)6)16(13)18-8-20;1-9(2)11-6-5-7-12(10(3)4)13(11)14-8-15/h7,10-12H,1-6H3;5-7,9-10H,1-4H3