(1E)-buta-1,3-dien-1-ol; 2,4-diisocyanato-1-methyl-benzene

Systemtic Name: (1E)-buta-1,3-dien-1-ol; 2,4-diisocyanato-1-methyl-benzene Openeye Name: (1E)-buta-1,3-dien-1-ol; 2,4-diisocyanato-1-methyl-benzene CAS Name: (1E)-1-buta-1,3-dienol; 2,4-diisocyanato-1-methylbenzene IUPAC Name: (1E)-buta-1,3-dien-1-ol; 2,4-diisocyanato-1-methylbenzene Traditional Name: (1E)-buta-1,3-dien-1-ol; 2,4-diisocyanato-1-methyl-benzene Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O2.C4H6O/c1-7-2-3-8(10-5-12)4-9(7)11-6-13;1-2-3-4-5/h2-4H,1H3;2-5H,1H2/b;4-3+