6-isocyanato-1,5-dimethyl-5-phenylmethoxy-cyclohexa-1,3-diene

Systemtic Name: 6-isocyanato-1,5-dimethyl-5-phenylmethoxy-cyclohexa-1,3-diene Openeye Name: 5-benzyloxy-6-isocyanato-1,5-dimethyl-cyclohexa-1,3-diene CAS Name: 6-isocyanato-1,5-dimethyl-5-phenylmethoxycyclohexa-1,3-diene IUPAC Name: 6-isocyanato-1,5-dimethyl-5-phenylmethoxycyclohexa-1,3-diene Traditional Name: 5-benzoxy-6-isocyanato-1,5-dimethyl-cyclohexa-1,3-diene Formula: C16H17NO2 MolecularWeight: 255.31168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(C1N=C=O)(C)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC(C1N=C=O)(C)OCC2=CC=CC=C2

InChI

InChI=1S/C16H17NO2/c1-13-7-6-10-16(2,15(13)17-12-18)19-11-14-8-4-3-5-9-14/h3-10,15H,11H2,1-2H3