2-hexyl-5-methoxy-7-thiabicyclo[2.2.1]hepta-1,3-diene

Systemtic Name: 2-hexyl-5-methoxy-7-thiabicyclo[2.2.1]hepta-1,3-diene Openeye Name: 2-hexyl-5-methoxy-7-thiabicyclo[2.2.1]hepta-1,3-diene CAS Name: 2-hexyl-5-methoxy-7-thiabicyclo[2.2.1]hepta-1,3-diene IUPAC Name: 2-hexyl-5-methoxy-7-thiabicyclo[2.2.1]hepta-1,3-diene Traditional Name: 2-hexyl-5-methoxy-7-thiabicyclo[2.2.1]hepta-1,3-diene Formula: C13H20OS MolecularWeight: 224.3623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2CC(C(=C1)S2)OC

Isomeric SMILES

CCCCCCC1=C2CC(C(=C1)S2)OC

InChI

InChI=1S/C13H20OS/c1-3-4-5-6-7-10-8-13-11(14-2)9-12(10)15-13/h8,11H,3-7,9H2,1-2H3