2,2-dimethyl-5-(3-methylbut-2-enyl)-5-(phenylmethyl)-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-(3-methylbut-2-enyl)-5-(phenylmethyl)-1,3-dioxane-4,6-dione Openeye Name: 5-benzyl-2,2-dimethyl-5-(3-methylbut-2-enyl)-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-(3-methylbut-2-enyl)-5-(phenylmethyl)-1,3-dioxane-4,6-dione IUPAC Name: 5-benzyl-2,2-dimethyl-5-(3-methylbut-2-enyl)-1,3-dioxane-4,6-dione Traditional Name: 5-benzyl-2,2-dimethyl-5-(3-methylbut-2-enyl)-1,3-dioxane-4,6-quinone Formula: C18H22O4 MolecularWeight: 302.36488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1(C(=O)OC(OC1=O)(C)C)CC2=CC=CC=C2)C

Isomeric SMILES

CC(=CCC1(C(=O)OC(OC1=O)(C)C)CC2=CC=CC=C2)C

InChI

InChI=1S/C18H22O4/c1-13(2)10-11-18(12-14-8-6-5-7-9-14)15(19)21-17(3,4)22-16(18)20/h5-10H,11-12H2,1-4H3