2-(phenylmethyl)-2-prop-2-enyl-cyclohexane-1,3-dione

Systemtic Name: 2-(phenylmethyl)-2-prop-2-enyl-cyclohexane-1,3-dione Openeye Name: 2-allyl-2-benzyl-cyclohexane-1,3-dione CAS Name: 2-(phenylmethyl)-2-prop-2-enylcyclohexane-1,3-dione IUPAC Name: 2-benzyl-2-prop-2-enylcyclohexane-1,3-dione Traditional Name: 2-allyl-2-benzyl-cyclohexane-1,3-quinone Formula: C16H18O2 MolecularWeight: 242.31292

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(C(=O)CCCC1=O)CC2=CC=CC=C2

Isomeric SMILES

C=CCC1(C(=O)CCCC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H18O2/c1-2-11-16(12-13-7-4-3-5-8-13)14(17)9-6-10-15(16)18/h2-5,7-8H,1,6,9-12H2