5-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]pent-1-en-3-one

Systemtic Name: 5-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]pent-1-en-3-one Openeye Name: 5-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]pent-1-en-3-one CAS Name: 5-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-1-penten-3-one IUPAC Name: 5-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]pent-1-en-3-one Traditional Name: 5-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]pent-1-en-3-one Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C=CC=C(C2O1)CCC(=O)C=C)C

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3/c1-4-11(15)9-8-10-6-5-7-12-13(10)17-14(2,3)16-12/h4-7,12-13H,1,8-9H2,2-3H3/t12-,13+/m0/s1