7-(1,3-benzodioxol-5-yl)-3-methoxy-6-methyl-5-propyl-bicyclo[3.2.1]oct-3-ene-2,8-dione

Systemtic Name: 7-(1,3-benzodioxol-5-yl)-3-methoxy-6-methyl-5-propyl-bicyclo[3.2.1]oct-3-ene-2,8-dione Openeye Name: 7-(1,3-benzodioxol-5-yl)-3-methoxy-6-methyl-5-propyl-bicyclo[3.2.1]oct-3-ene-2,8-dione CAS Name: 7-(1,3-benzodioxol-5-yl)-3-methoxy-6-methyl-5-propylbicyclo[3.2.1]oct-3-ene-2,8-dione IUPAC Name: 7-(1,3-benzodioxol-5-yl)-3-methoxy-6-methyl-5-propylbicyclo[3.2.1]oct-3-ene-2,8-dione Traditional Name: 7-(1,3-benzodioxol-5-yl)-3-methoxy-6-methyl-5-propyl-bicyclo[3.2.1]oct-3-ene-2,8-quinone Formula: C20H22O5 MolecularWeight: 342.38568

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12C=C(C(=O)C(C1=O)C(C2C)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CCCC12C=C(C(=O)C(C1=O)C(C2C)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C20H22O5/c1-4-7-20-9-15(23-3)18(21)17(19(20)22)16(11(20)2)12-5-6-13-14(8-12)25-10-24-13/h5-6,8-9,11,16-17H,4,7,10H2,1-3H3