4-isocyanato-2,3-dimethyl-phenol; 4-isocyanato-3-methyl-phenol

Systemtic Name: 4-isocyanato-2,3-dimethyl-phenol; 4-isocyanato-3-methyl-phenol Openeye Name: 4-isocyanato-2,3-dimethyl-phenol; 4-isocyanato-3-methyl-phenol CAS Name: 4-isocyanato-2,3-dimethylphenol; 4-isocyanato-3-methylphenol IUPAC Name: 4-isocyanato-2,3-dimethylphenol; 4-isocyanato-3-methylphenol Traditional Name: 4-isocyanato-2,3-dimethyl-phenol; 4-isocyanato-3-methyl-phenol Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)N=C=O.CC1=C(C=CC(=C1C)O)N=C=O

Isomeric SMILES

CC1=C(C=CC(=C1)O)N=C=O.CC1=C(C=CC(=C1C)O)N=C=O

InChI

InChI=1S/C9H9NO2.C8H7NO2/c1-6-7(2)9(12)4-3-8(6)10-5-11;1-6-4-7(11)2-3-8(6)9-5-10/h3-4,12H,1-2H3;2-4,11H,1H3