3-isocyanato-1-methyl-1-propan-2-yl-cyclohexane

Systemtic Name: 3-isocyanato-1-methyl-1-propan-2-yl-cyclohexane Openeye Name: 3-isocyanato-1-isopropyl-1-methyl-cyclohexane CAS Name: 3-isocyanato-1-methyl-1-propan-2-ylcyclohexane IUPAC Name: 3-isocyanato-1-methyl-1-propan-2-ylcyclohexane Traditional Name: 3-isocyanato-1-isopropyl-1-methyl-cyclohexane Formula: C11H19NO MolecularWeight: 181.27466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CCCC(C1)N=C=O)C

Isomeric SMILES

CC(C)C1(CCCC(C1)N=C=O)C

InChI

InChI=1S/C11H19NO/c1-9(2)11(3)6-4-5-10(7-11)12-8-13/h9-10H,4-7H2,1-3H3