1-tert-butyl-4-(2-isothiocyanatophenyl)-3,5,8-trioxabicyclo[2.2.2]octane

Systemtic Name: 1-tert-butyl-4-(2-isothiocyanatophenyl)-3,5,8-trioxabicyclo[2.2.2]octane Openeye Name: 1-tert-butyl-4-(2-isothiocyanatophenyl)-3,5,8-trioxabicyclo[2.2.2]octane CAS Name: 1-tert-butyl-4-(2-isothiocyanatophenyl)-3,5,8-trioxabicyclo[2.2.2]octane IUPAC Name: 1-tert-butyl-4-(2-isothiocyanatophenyl)-3,5,8-trioxabicyclo[2.2.2]octane Traditional Name: 1-tert-butyl-4-(2-isothiocyanatophenyl)-3,5,8-trioxabicyclo[2.2.2]octane Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C12COC(OC1)(OC2)C3=CC=CC=C3N=C=S

Isomeric SMILES

CC(C)(C)C12COC(OC1)(OC2)C3=CC=CC=C3N=C=S

InChI

InChI=1S/C16H19NO3S/c1-14(2,3)15-8-18-16(19-9-15,20-10-15)12-6-4-5-7-13(12)17-11-21/h4-7H,8-10H2,1-3H3