5-(7-propylsulfanylheptoxymethyl)-1,3-benzodioxole

Systemtic Name: 5-(7-propylsulfanylheptoxymethyl)-1,3-benzodioxole Openeye Name: 5-(7-propylsulfanylheptoxymethyl)-1,3-benzodioxole CAS Name: 5-[7-(propylthio)heptoxymethyl]-1,3-benzodioxole IUPAC Name: 5-(7-propylsulfanylheptoxymethyl)-1,3-benzodioxole Traditional Name: 5-[7-(propylthio)heptoxymethyl]-1,3-benzodioxole Formula: C18H28O3S MolecularWeight: 324.47812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCCCCCOCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCSCCCCCCCOCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C18H28O3S/c1-2-11-22-12-7-5-3-4-6-10-19-14-16-8-9-17-18(13-16)21-15-20-17/h8-9,13H,2-7,10-12,14-15H2,1H3