1,3-bis(2-isocyanatopropan-2-yl)benzene; 2-(2-hydroxyethyloxy)ethanol; oxepan-2-one

Systemtic Name: 1,3-bis(2-isocyanatopropan-2-yl)benzene; 2-(2-hydroxyethyloxy)ethanol; oxepan-2-one Openeye Name: 1,3-bis(1-isocyanato-1-methyl-ethyl)benzene; 2-(2-hydroxyethoxy)ethanol; oxepan-2-one CAS Name: 1,3-bis(2-isocyanatopropan-2-yl)benzene; 2-(2-hydroxyethoxy)ethanol; 2-oxepanone IUPAC Name: 1,3-bis(2-isocyanatopropan-2-yl)benzene; 2-(2-hydroxyethoxy)ethanol; oxepan-2-one Traditional Name: 1,3-bis(1-isocyanato-1-methyl-ethyl)benzene; 2-(2-hydroxyethoxy)ethanol; oxepan-2-one Formula: C24H36N2O7 MolecularWeight: 464.55184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=CC=C1)C(C)(C)N=C=O)N=C=O.C1CCC(=O)OCC1.C(COCCO)O

Isomeric SMILES

CC(C)(C1=CC(=CC=C1)C(C)(C)N=C=O)N=C=O.C1CCC(=O)OCC1.C(COCCO)O

InChI

InChI=1S/C14H16N2O2.C6H10O2.C4H10O3/c1-13(2,15-9-17)11-6-5-7-12(8-11)14(3,4)16-10-18;7-6-4-2-1-3-5-8-6;5-1-3-7-4-2-6/h5-8H,1-4H3;1-5H2;5-6H,1-4H2