ethyl 2-(4-propylphenyl)ethanoate; 2-isothiocyanato-2-phenyl-1,3-dioxane

Systemtic Name: ethyl 2-(4-propylphenyl)ethanoate; 2-isothiocyanato-2-phenyl-1,3-dioxane Openeye Name: ethyl 2-(4-propylphenyl)acetate; 2-isothiocyanato-2-phenyl-1,3-dioxane CAS Name: 2-isothiocyanato-2-phenyl-1,3-dioxane; 2-(4-propylphenyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(4-propylphenyl)acetate; 2-isothiocyanato-2-phenyl-1,3-dioxane Traditional Name: 2-isothiocyanato-2-phenyl-1,3-dioxane; 2-(4-propylphenyl)acetic acid ethyl ester Formula: C24H29NO4S MolecularWeight: 427.55636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)CC(=O)OCC.C1COC(OC1)(C2=CC=CC=C2)N=C=S

Isomeric SMILES

CCCC1=CC=C(C=C1)CC(=O)OCC.C1COC(OC1)(C2=CC=CC=C2)N=C=S

InChI

InChI=1S/C13H18O2.C11H11NO2S/c1-3-5-11-6-8-12(9-7-11)10-13(14)15-4-2;15-9-12-11(13-7-4-8-14-11)10-5-2-1-3-6-10/h6-9H,3-5,10H2,1-2H3;1-3,5-6H,4,7-8H2