4-[[4-(phenylmethyl)cyclohexyl]methyl]heptane-3,5-dione

Systemtic Name: 4-[[4-(phenylmethyl)cyclohexyl]methyl]heptane-3,5-dione Openeye Name: 4-[(4-benzylcyclohexyl)methyl]heptane-3,5-dione CAS Name: 4-[[4-(phenylmethyl)cyclohexyl]methyl]heptane-3,5-dione IUPAC Name: 4-[(4-benzylcyclohexyl)methyl]heptane-3,5-dione Traditional Name: 4-[(4-benzylcyclohexyl)methyl]heptane-3,5-dione Formula: C21H30O2 MolecularWeight: 314.4617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30O2/c1-3-20(22)19(21(23)4-2)15-18-12-10-17(11-13-18)14-16-8-6-5-7-9-16/h5-9,17-19H,3-4,10-15H2,1-2H3