(2,2,6,8-tetramethyl-4,5-dihydro-3H-1-benzoxepin-7-yl) thiocyanate

Systemtic Name: (2,2,6,8-tetramethyl-4,5-dihydro-3H-1-benzoxepin-7-yl) thiocyanate Openeye Name: (2,2,6,8-tetramethyl-4,5-dihydro-3H-1-benzoxepin-7-yl) thiocyanate CAS Name: thiocyanic acid (2,2,6,8-tetramethyl-4,5-dihydro-3H-1-benzoxepin-7-yl) ester IUPAC Name: (2,2,6,8-tetramethyl-4,5-dihydro-3H-1-benzoxepin-7-yl) thiocyanate Traditional Name: thiocyanic acid (2,2,6,8-tetramethyl-4,5-dihydro-3H-1-benzoxepin-7-yl) ester Formula: C15H19NOS MolecularWeight: 261.38246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CCCC(O2)(C)C)C(=C1SC#N)C

Isomeric SMILES

CC1=CC2=C(CCCC(O2)(C)C)C(=C1SC#N)C

InChI

InChI=1S/C15H19NOS/c1-10-8-13-12(11(2)14(10)18-9-16)6-5-7-15(3,4)17-13/h8H,5-7H2,1-4H3