(2R,3R)-2-(4-isocyano-4-methyl-cyclohexyl)-2-methyl-3-[(E)-3-methylbut-1-enyl]oxirane

Systemtic Name: (2R,3R)-2-(4-isocyano-4-methyl-cyclohexyl)-2-methyl-3-[(E)-3-methylbut-1-enyl]oxirane Openeye Name: (2R,3R)-2-(4-isocyano-4-methyl-cyclohexyl)-2-methyl-3-[(E)-3-methylbut-1-enyl]oxirane CAS Name: (2R,3R)-2-(4-isocyano-4-methylcyclohexyl)-2-methyl-3-[(E)-3-methylbut-1-enyl]oxirane IUPAC Name: (2R,3R)-2-(4-isocyano-4-methylcyclohexyl)-2-methyl-3-[(E)-3-methylbut-1-enyl]oxirane Traditional Name: (2R,3R)-2-(4-isocyano-4-methyl-cyclohexyl)-2-methyl-3-[(E)-3-methylbut-1-enyl]oxirane Formula: C16H25NO MolecularWeight: 247.3758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC1C(O1)(C)C2CCC(CC2)(C)[N+]#[C-]

Isomeric SMILES

CC(C)/C=C/[C@@H]1[C@@](O1)(C)C2CCC(CC2)(C)[N+]#[C-]

InChI

InChI=1S/C16H25NO/c1-12(2)6-7-14-16(4,18-14)13-8-10-15(3,17-5)11-9-13/h6-7,12-14H,8-11H2,1-4H3/b7-6+/t13?,14-,15?,16-/m1/s1