3,9-dimethyl-7-(phenylmethyl)-1,5-dioxonane-2,6-dione

Systemtic Name: 3,9-dimethyl-7-(phenylmethyl)-1,5-dioxonane-2,6-dione Openeye Name: 7-benzyl-3,9-dimethyl-1,5-dioxonane-2,6-dione CAS Name: 3,9-dimethyl-7-(phenylmethyl)-1,5-dioxonane-2,6-dione IUPAC Name: 7-benzyl-3,9-dimethyl-1,5-dioxonane-2,6-dione Traditional Name: 7-benzyl-3,9-dimethyl-1,5-dioxonane-2,6-quinone Formula: C16H20O4 MolecularWeight: 276.3276

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)OCC(C(=O)O1)C)CC2=CC=CC=C2

Isomeric SMILES

CC1CC(C(=O)OCC(C(=O)O1)C)CC2=CC=CC=C2

InChI

InChI=1S/C16H20O4/c1-11-10-19-16(18)14(8-12(2)20-15(11)17)9-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3