9-(1,3-benzodioxol-5-ylmethyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione

Systemtic Name: 9-(1,3-benzodioxol-5-ylmethyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(1,3-benzodioxol-5-ylmethyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(1,3-benzodioxol-5-ylmethyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(1,3-benzodioxol-5-ylmethyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-piperonyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C21H20O5 MolecularWeight: 352.3805

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C3=C(O2)CCCC3=O)CC4=CC5=C(C=C4)OCO5)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C3=C(O2)CCCC3=O)CC4=CC5=C(C=C4)OCO5)C(=O)C1

InChI

InChI=1S/C21H20O5/c22-14-3-1-5-17-20(14)13(21-15(23)4-2-6-18(21)26-17)9-12-7-8-16-19(10-12)25-11-24-16/h7-8,10,13H,1-6,9,11H2