4-isocyanatocyclohexane-1-carbaldehyde; 4-isocyanato-1-methyl-cyclohexane-1-carbaldehyde

Systemtic Name: 4-isocyanatocyclohexane-1-carbaldehyde; 4-isocyanato-1-methyl-cyclohexane-1-carbaldehyde Openeye Name: 4-isocyanatocyclohexanecarbaldehyde; 4-isocyanato-1-methyl-cyclohexanecarbaldehyde CAS Name: 4-isocyanato-1-cyclohexanecarboxaldehyde; 4-isocyanato-1-methyl-1-cyclohexanecarboxaldehyde IUPAC Name: 4-isocyanatocyclohexane-1-carbaldehyde; 4-isocyanato-1-methylcyclohexane-1-carbaldehyde Traditional Name: 4-isocyanatocyclohexanecarbaldehyde; 4-isocyanato-1-methyl-cyclohexanecarbaldehyde Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)N=C=O)C=O.C1CC(CCC1C=O)N=C=O

Isomeric SMILES

CC1(CCC(CC1)N=C=O)C=O.C1CC(CCC1C=O)N=C=O

InChI

InChI=1S/C9H13NO2.C8H11NO2/c1-9(6-11)4-2-8(3-5-9)10-7-12;10-5-7-1-3-8(4-2-7)9-6-11/h6,8H,2-5H2,1H3;5,7-8H,1-4H2