2-(2-isothiocyanatophenyl)-5-pent-4-enyl-1,3-dioxane

Systemtic Name: 2-(2-isothiocyanatophenyl)-5-pent-4-enyl-1,3-dioxane Openeye Name: 2-(2-isothiocyanatophenyl)-5-pent-4-enyl-1,3-dioxane CAS Name: 2-(2-isothiocyanatophenyl)-5-pent-4-enyl-1,3-dioxane IUPAC Name: 2-(2-isothiocyanatophenyl)-5-pent-4-enyl-1,3-dioxane Traditional Name: 2-(2-isothiocyanatophenyl)-5-pent-4-enyl-1,3-dioxane Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCC1COC(OC1)C2=CC=CC=C2N=C=S

Isomeric SMILES

C=CCCCC1COC(OC1)C2=CC=CC=C2N=C=S

InChI

InChI=1S/C16H19NO2S/c1-2-3-4-7-13-10-18-16(19-11-13)14-8-5-6-9-15(14)17-12-20/h2,5-6,8-9,13,16H,1,3-4,7,10-11H2