(3aS,7aS)-7-chloranyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole

Systemtic Name: (3aS,7aS)-7-chloranyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole Openeye Name: (3aS,7aS)-7-chloro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole CAS Name: (3aS,7aS)-7-chloro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole IUPAC Name: (3aS,7aS)-7-chloro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole Traditional Name: (3aS,7aS)-7-chloro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole Formula: C9H13ClO2 MolecularWeight: 188.65132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2CCC=C(C2O1)Cl)C

Isomeric SMILES

CC1(O[C@H]2CCC=C([C@H]2O1)Cl)C

InChI

InChI=1S/C9H13ClO2/c1-9(2)11-7-5-3-4-6(10)8(7)12-9/h4,7-8H,3,5H2,1-2H3/t7-,8+/m0/s1