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

Systemtic Name: 2-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]ethanethiol Openeye Name: 2-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]ethanethiol CAS Name: 2-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]ethanethiol IUPAC Name: 2-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]ethanethiol Traditional Name: 2-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]ethanethiol Formula: C11H16O2S MolecularWeight: 212.30854

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C=CC=C(C2O1)CCS)C

Isomeric SMILES

CC1(O[C@H]2C=CC=C([C@H]2O1)CCS)C

InChI

InChI=1S/C11H16O2S/c1-11(2)12-9-5-3-4-8(6-7-14)10(9)13-11/h3-5,9-10,14H,6-7H2,1-2H3/t9-,10+/m0/s1