3,3,6,6-tetraisocyanato-1-propan-2-yl-cyclohexa-1,4-diene

Systemtic Name: 3,3,6,6-tetraisocyanato-1-propan-2-yl-cyclohexa-1,4-diene Openeye Name: 3,3,6,6-tetraisocyanato-1-isopropyl-cyclohexa-1,4-diene CAS Name: 3,3,6,6-tetraisocyanato-1-propan-2-ylcyclohexa-1,4-diene IUPAC Name: 3,3,6,6-tetraisocyanato-1-propan-2-ylcyclohexa-1,4-diene Traditional Name: 3,3,6,6-tetraisocyanato-1-isopropyl-cyclohexa-1,4-diene Formula: C13H10N4O4 MolecularWeight: 286.2429

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(C=CC1(N=C=O)N=C=O)(N=C=O)N=C=O

Isomeric SMILES

CC(C)C1=CC(C=CC1(N=C=O)N=C=O)(N=C=O)N=C=O

InChI

InChI=1S/C13H10N4O4/c1-10(2)11-5-12(14-6-18,15-7-19)3-4-13(11,16-8-20)17-9-21/h3-5,10H,1-2H3