3-[(6-oxidanylidenecyclohexen-1-yl)-phenyl-methyl]pentane-2,4-dione

Systemtic Name: 3-[(6-oxidanylidenecyclohexen-1-yl)-phenyl-methyl]pentane-2,4-dione Openeye Name: 3-[(6-oxocyclohexen-1-yl)-phenyl-methyl]pentane-2,4-dione CAS Name: 3-[(6-oxo-1-cyclohexenyl)-phenylmethyl]pentane-2,4-dione IUPAC Name: 3-[(6-oxocyclohexen-1-yl)-phenylmethyl]pentane-2,4-dione Traditional Name: 3-[(6-ketocyclohexen-1-yl)-phenyl-methyl]pentane-2,4-dione Formula: C18H20O3 MolecularWeight: 284.3496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C1=CCCCC1=O)C2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC(=O)C(C(C1=CCCCC1=O)C2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C18H20O3/c1-12(19)17(13(2)20)18(14-8-4-3-5-9-14)15-10-6-7-11-16(15)21/h3-5,8-10,17-18H,6-7,11H2,1-2H3