2-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]ethyl thiocyanate

Systemtic Name: 2-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]ethyl thiocyanate Openeye Name: 2-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]ethyl thiocyanate CAS Name: thiocyanic acid 2-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]ethyl ester IUPAC Name: 2-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]ethyl thiocyanate Traditional Name: thiocyanic acid 2-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]ethyl ester Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C=CC=C(C2O1)CCSC#N)C

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO2S/c1-12(2)14-10-5-3-4-9(11(10)15-12)6-7-16-8-13/h3-5,10-11H,6-7H2,1-2H3/t10-,11+/m0/s1