(4aS,7R,8aR)-4a-methyl-7-prop-1-en-2-yl-6,7,8,8a-tetrahydro-5H-1,4-benzoxathiine

Systemtic Name: (4aS,7R,8aR)-4a-methyl-7-prop-1-en-2-yl-6,7,8,8a-tetrahydro-5H-1,4-benzoxathiine Openeye Name: (4aS,7R,8aR)-7-isopropenyl-4a-methyl-6,7,8,8a-tetrahydro-5H-1,4-benzoxathiine CAS Name: (4aS,7R,8aR)-4a-methyl-7-(1-methylethenyl)-6,7,8,8a-tetrahydro-5H-1,4-benzoxathiin IUPAC Name: (4aS,7R,8aR)-4a-methyl-7-prop-1-en-2-yl-6,7,8,8a-tetrahydro-5H-1,4-benzoxathiine Traditional Name: (4aS,7R,8aR)-7-isopropenyl-4a-methyl-6,7,8,8a-tetrahydro-5H-1,4-benzoxathiin Formula: C12H18OS MolecularWeight: 210.33572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC2(C(C1)OC=CS2)C

Isomeric SMILES

CC(=C)[C@@H]1CC[C@]2([C@@H](C1)OC=CS2)C

InChI

InChI=1S/C12H18OS/c1-9(2)10-4-5-12(3)11(8-10)13-6-7-14-12/h6-7,10-11H,1,4-5,8H2,2-3H3/t10-,11-,12+/m1/s1