2-methyl-2-(phenylmethoxymethyl)cycloheptane-1,3-dione

Systemtic Name: 2-methyl-2-(phenylmethoxymethyl)cycloheptane-1,3-dione Openeye Name: 2-(benzyloxymethyl)-2-methyl-cycloheptane-1,3-dione CAS Name: 2-methyl-2-(phenylmethoxymethyl)cycloheptane-1,3-dione IUPAC Name: 2-methyl-2-(phenylmethoxymethyl)cycloheptane-1,3-dione Traditional Name: 2-(benzoxymethyl)-2-methyl-cycloheptane-1,3-quinone Formula: C16H20O3 MolecularWeight: 260.3282

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)CCCCC1=O)COCC2=CC=CC=C2

Isomeric SMILES

CC1(C(=O)CCCCC1=O)COCC2=CC=CC=C2

InChI

InChI=1S/C16H20O3/c1-16(14(17)9-5-6-10-15(16)18)12-19-11-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3