1,3-diisocyanato-2-methyl-benzene; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene; oxirane; oxolane

Systemtic Name: 1,3-diisocyanato-2-methyl-benzene; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene; oxirane; oxolane Openeye Name: 1,3-diisocyanato-2-methyl-benzene; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene; oxirane; tetrahydrofuran CAS Name: 1,3-diisocyanato-2-methylbenzene; 5-isocyanato-5-[(1-isocyanato-1-cyclohexa-2,4-dienyl)methyl]cyclohexa-1,3-diene; oxirane; oxolane IUPAC Name: 1,3-diisocyanato-2-methylbenzene; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene; oxirane; oxolane Traditional Name: 1,3-diisocyanato-2-methyl-benzene; ethylene oxide; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene; tetrahydrofuran Formula: C30H32N4O6 MolecularWeight: 544.59828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N=C=O)N=C=O.C1CCOC1.C1CO1.C1C=CC=CC1(CC2(CC=CC=C2)N=C=O)N=C=O

Isomeric SMILES

CC1=C(C=CC=C1N=C=O)N=C=O.C1CCOC1.C1CO1.C1C=CC=CC1(CC2(CC=CC=C2)N=C=O)N=C=O

InChI

InChI=1S/C15H14N2O2.C9H6N2O2.C4H8O.C2H4O/c18-12-16-14(7-3-1-4-8-14)11-15(17-13-19)9-5-2-6-10-15;1-7-8(10-5-12)3-2-4-9(7)11-6-13;1-2-4-5-3-1;1-2-3-1/h1-7,9H,8,10-11H2;2-4H,1H3;1-4H2;1-2H2