4-[(1R,2S)-2-isocyanatocyclohexyl]-1,2-dimethoxy-benzene

Systemtic Name: 4-[(1R,2S)-2-isocyanatocyclohexyl]-1,2-dimethoxy-benzene Openeye Name: 4-[(1R,2S)-2-isocyanatocyclohexyl]-1,2-dimethoxy-benzene CAS Name: 4-[(1R,2S)-2-isocyanatocyclohexyl]-1,2-dimethoxybenzene IUPAC Name: 4-[(1R,2S)-2-isocyanatocyclohexyl]-1,2-dimethoxybenzene Traditional Name: 4-[(1R,2S)-2-isocyanatocyclohexyl]-1,2-dimethoxy-benzene Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCCC2N=C=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CCCC[C@@H]2N=C=O)OC

InChI

InChI=1S/C15H19NO3/c1-18-14-8-7-11(9-15(14)19-2)12-5-3-4-6-13(12)16-10-17/h7-9,12-13H,3-6H2,1-2H3/t12-,13+/m1/s1