4-[[4-(1,3-benzodioxol-5-ylmethyl)cyclohexyl]methyl]heptane-3,5-dione

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)cyclohexyl]methyl]heptane-3,5-dione Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)cyclohexyl]methyl]heptane-3,5-dione CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)cyclohexyl]methyl]heptane-3,5-dione IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)cyclohexyl]methyl]heptane-3,5-dione Traditional Name: 4-[(4-piperonylcyclohexyl)methyl]heptane-3,5-dione Formula: C22H30O4 MolecularWeight: 358.4712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC1CCC(CC1)CC2=CC3=C(C=C2)OCO3)C(=O)CC

Isomeric SMILES

CCC(=O)C(CC1CCC(CC1)CC2=CC3=C(C=C2)OCO3)C(=O)CC

InChI

InChI=1S/C22H30O4/c1-3-19(23)18(20(24)4-2)12-16-7-5-15(6-8-16)11-17-9-10-21-22(13-17)26-14-25-21/h9-10,13,15-16,18H,3-8,11-12,14H2,1-2H3