2,4-diisocyanato-1-methyl-benzene; hexane-1,1,1-triol

Systemtic Name: 2,4-diisocyanato-1-methyl-benzene; hexane-1,1,1-triol Openeye Name: 2,4-diisocyanato-1-methyl-benzene; hexane-1,1,1-triol CAS Name: 2,4-diisocyanato-1-methylbenzene; hexane-1,1,1-triol IUPAC Name: 2,4-diisocyanato-1-methylbenzene; hexane-1,1,1-triol Traditional Name: 2,4-diisocyanato-1-methyl-benzene; hexane-1,1,1-triol Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(O)(O)O.CC1=C(C=C(C=C1)N=C=O)N=C=O

Isomeric SMILES

CCCCCC(O)(O)O.CC1=C(C=C(C=C1)N=C=O)N=C=O

InChI

InChI=1S/C9H6N2O2.C6H14O3/c1-7-2-3-8(10-5-12)4-9(7)11-6-13;1-2-3-4-5-6(7,8)9/h2-4H,1H3;7-9H,2-5H2,1H3