4,6-bis(oxidanylidene)heptyl benzoate

Systemtic Name: 4,6-bis(oxidanylidene)heptyl benzoate Openeye Name: 4,6-dioxoheptyl benzoate CAS Name: benzoic acid 4,6-dioxoheptyl ester IUPAC Name: 4,6-dioxoheptyl benzoate Traditional Name: benzoic acid 4,6-diketoheptyl ester Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)CCCOC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(=O)CC(=O)CCCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H16O4/c1-11(15)10-13(16)8-5-9-18-14(17)12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3