methyl 3-[(3aS,7aR)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-yl]propanoate

Systemtic Name: methyl 3-[(3aS,7aR)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-yl]propanoate Openeye Name: methyl 3-[(3aS,7aR)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-yl]propanoate CAS Name: 3-[(3aS,7aR)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3aS,7aR)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-yl]propanoate Traditional Name: 3-[(3aS,7aR)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-yl]propionic acid methyl ester Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C=CC(=CC2O1)CCC(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4/c1-13(2)16-10-6-4-9(8-11(10)17-13)5-7-12(14)15-3/h4,6,8,10-11H,5,7H2,1-3H3/t10-,11+/m1/s1