4-(3,5-diisocyanato-2-methyl-phenyl)butane-1,2-diol

Systemtic Name: 4-(3,5-diisocyanato-2-methyl-phenyl)butane-1,2-diol Openeye Name: 4-(3,5-diisocyanato-2-methyl-phenyl)butane-1,2-diol CAS Name: 4-(3,5-diisocyanato-2-methylphenyl)butane-1,2-diol IUPAC Name: 4-(3,5-diisocyanato-2-methylphenyl)butane-1,2-diol Traditional Name: 4-(3,5-diisocyanato-2-methyl-phenyl)butane-1,2-diol Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1CCC(CO)O)N=C=O)N=C=O

Isomeric SMILES

CC1=C(C=C(C=C1CCC(CO)O)N=C=O)N=C=O

InChI

InChI=1S/C13H14N2O4/c1-9-10(2-3-12(19)6-16)4-11(14-7-17)5-13(9)15-8-18/h4-5,12,16,19H,2-3,6H2,1H3