1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol

Systemtic Name: 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Openeye Name: 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol CAS Name: 1,3-diisocyanato-2-methylbenzene; 2,4-diisocyanato-1-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: 1,3-diisocyanato-2-methylbenzene; 2,4-diisocyanato-1-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Traditional Name: 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; 2-ethyl-2-methylol-propane-1,3-diol Formula: C24H26N4O7 MolecularWeight: 482.48584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.CC1=C(C=C(C=C1)N=C=O)N=C=O.CC1=C(C=CC=C1N=C=O)N=C=O

Isomeric SMILES

CCC(CO)(CO)CO.CC1=C(C=C(C=C1)N=C=O)N=C=O.CC1=C(C=CC=C1N=C=O)N=C=O

InChI

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