2-[(3aR,7aR)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-1,3-benzodioxol-3a-yl]ethanenitrile

Systemtic Name: 2-[(3aR,7aR)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-1,3-benzodioxol-3a-yl]ethanenitrile Openeye Name: 2-[(3aR,7aR)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-1,3-benzodioxol-3a-yl]acetonitrile CAS Name: 2-[(3aR,7aR)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-1,3-benzodioxol-3a-yl]acetonitrile IUPAC Name: 2-[(3aR,7aR)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-1,3-benzodioxol-3a-yl]acetonitrile Traditional Name: 2-[(3aR,7aR)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-1,3-benzodioxol-3a-yl]acetonitrile Formula: C11H17NO2 MolecularWeight: 195.25818

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2CCCCC2(O1)CC#N)C

Isomeric SMILES

CC1(O[C@@H]2CCCC[C@@]2(O1)CC#N)C

InChI

InChI=1S/C11H17NO2/c1-10(2)13-9-5-3-4-6-11(9,14-10)7-8-12/h9H,3-7H2,1-2H3/t9-,11-/m1/s1