butane-1,4-diol; 2,4-diisocyanato-1-methyl-benzene

Systemtic Name: butane-1,4-diol; 2,4-diisocyanato-1-methyl-benzene Openeye Name: butane-1,4-diol; 2,4-diisocyanato-1-methyl-benzene CAS Name: butane-1,4-diol; 2,4-diisocyanato-1-methylbenzene IUPAC Name: butane-1,4-diol; 2,4-diisocyanato-1-methylbenzene Traditional Name: butane-1,4-diol; 2,4-diisocyanato-1-methyl-benzene Formula: C13H16N2O4 MolecularWeight: 264.27714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C=O)N=C=O.C(CCO)CO

Isomeric SMILES

CC1=C(C=C(C=C1)N=C=O)N=C=O.C(CCO)CO

InChI

InChI=1S/C9H6N2O2.C4H10O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13;5-3-1-2-4-6/h2-4H,1H3;5-6H,1-4H2