1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; 2-methyloxirane; oxirane; propane-1,2,3-triol; hydrate

Systemtic Name: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; 2-methyloxirane; oxirane; propane-1,2,3-triol; hydrate Openeye Name: glycerol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; 2-methyloxirane; oxirane; hydrate CAS Name: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; 2-methyloxirane; oxirane; propane-1,2,3-triol; hydrate IUPAC Name: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; 2-methyloxirane; oxirane; propane-1,2,3-triol; hydrate Traditional Name: ethylene oxide; glycerol; 1-isocyanato-4-(4-isocyanatobenzyl)benzene; propylene oxide; hydrate Formula: C23H30N2O8 MolecularWeight: 462.4929

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Descriptors Computed from Structure

Canonical SMILES:

CC1CO1.C1CO1.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(C(CO)O)O.O

Isomeric SMILES

CC1CO1.C1CO1.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(C(CO)O)O.O

InChI

InChI=1S/C15H10N2O2.C3H8O3.C3H6O.C2H4O.H2O/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;4-1-3(6)2-5;1-3-2-4-3;1-2-3-1;/h1-8H,9H2;3-6H,1-2H2;3H,2H2,1H3;1-2H2;1H2