5-butyl-2-[2-[2-(4-isothiocyanatophenyl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane

Systemtic Name: 5-butyl-2-[2-[2-(4-isothiocyanatophenyl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane Openeye Name: 5-butyl-2-[2-[2-(4-isothiocyanatophenyl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane CAS Name: 5-butyl-2-[2-[2-(4-isothiocyanatophenyl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane IUPAC Name: 5-butyl-2-[2-[2-(4-isothiocyanatophenyl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane Traditional Name: 5-butyl-2-[2-[2-(4-isothiocyanatophenyl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1COC(OC1)CCC2COC(OC2)C3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCC1COC(OC1)CCC2COC(OC2)C3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C21H29NO4S/c1-2-3-4-16-11-23-20(24-12-16)10-5-17-13-25-21(26-14-17)18-6-8-19(9-7-18)22-15-27/h6-9,16-17,20-21H,2-5,10-14H2,1H3