3-(1,3-benzodioxol-5-yl)-6-ethyl-4-oxidanyl-2-propyl-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-6-ethyl-4-oxidanyl-2-propyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-6-ethyl-4-hydroxy-2-propyl-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(1,3-benzodioxol-5-yl)-6-ethyl-4-hydroxy-2-propyl-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-6-ethyl-4-hydroxy-2-propyl-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-6-ethyl-4-hydroxy-2-propyl-5,6,8,8a-tetrahydrochromen-7-one Formula: C21H24O5 MolecularWeight: 356.41226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2CC(C(=O)CC2O1)CC)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCC1=C(C(=C2CC(C(=O)CC2O1)CC)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24O5/c1-3-5-17-20(13-6-7-16-19(9-13)25-11-24-16)21(23)14-8-12(4-2)15(22)10-18(14)26-17/h6-7,9,12,18,23H,3-5,8,10-11H2,1-2H3