methyl 3,6-bis(oxidanylidene)-6-phenyl-hexanoate

Systemtic Name: methyl 3,6-bis(oxidanylidene)-6-phenyl-hexanoate Openeye Name: methyl 3,6-dioxo-6-phenyl-hexanoate CAS Name: 3,6-dioxo-6-phenylhexanoic acid methyl ester IUPAC Name: methyl 3,6-dioxo-6-phenylhexanoate Traditional Name: 3,6-diketo-6-phenyl-hexanoic acid methyl ester Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CCC(=O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)CC(=O)CCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H14O4/c1-17-13(16)9-11(14)7-8-12(15)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3