2-[(3aR,5S,7aS)-2,2,7a-trimethyl-4,5-dihydro-3aH-1,3-benzodioxol-5-yl]propane-1,3-diol

Systemtic Name: 2-[(3aR,5S,7aS)-2,2,7a-trimethyl-4,5-dihydro-3aH-1,3-benzodioxol-5-yl]propane-1,3-diol Openeye Name: 2-[(3aR,5S,7aS)-2,2,7a-trimethyl-4,5-dihydro-3aH-1,3-benzodioxol-5-yl]propane-1,3-diol CAS Name: 2-[(3aR,5S,7aS)-2,2,7a-trimethyl-4,5-dihydro-3aH-1,3-benzodioxol-5-yl]propane-1,3-diol IUPAC Name: 2-[(3aR,5S,7aS)-2,2,7a-trimethyl-4,5-dihydro-3aH-1,3-benzodioxol-5-yl]propane-1,3-diol Traditional Name: 2-[(3aR,5S,7aS)-2,2,7a-trimethyl-4,5-dihydro-3aH-1,3-benzodioxol-5-yl]propane-1,3-diol Formula: C13H22O4 MolecularWeight: 242.31138

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2CC(C=CC2(O1)C)C(CO)CO)C

Isomeric SMILES

C[C@]12C=C[C@H](C[C@H]1OC(O2)(C)C)C(CO)CO

InChI

InChI=1S/C13H22O4/c1-12(2)16-11-6-9(10(7-14)8-15)4-5-13(11,3)17-12/h4-5,9-11,14-15H,6-8H2,1-3H3/t9-,11-,13+/m1/s1