(3aR,4S,5R,7aS)-5-butyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol

Systemtic Name: (3aR,4S,5R,7aS)-5-butyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol Openeye Name: (3aR,4S,5R,7aS)-5-butyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol CAS Name: (3aR,4S,5R,7aS)-5-butyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol IUPAC Name: (3aR,4S,5R,7aS)-5-butyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol Traditional Name: (3aR,4S,5R,7aS)-5-butyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol Formula: C13H22O3 MolecularWeight: 226.31198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C=CC2C(C1O)OC(O2)(C)C

Isomeric SMILES

CCCC[C@@H]1C=C[C@H]2[C@@H]([C@H]1O)OC(O2)(C)C

InChI

InChI=1S/C13H22O3/c1-4-5-6-9-7-8-10-12(11(9)14)16-13(2,3)15-10/h7-12,14H,4-6H2,1-3H3/t9-,10+,11+,12+/m1/s1