7-(3-methylphenyl)-4,7-bis(oxidanylidene)heptanoic acid

Systemtic Name: 7-(3-methylphenyl)-4,7-bis(oxidanylidene)heptanoic acid Openeye Name: 7-(m-tolyl)-4,7-dioxo-heptanoic acid CAS Name: 7-(3-methylphenyl)-4,7-dioxoheptanoic acid IUPAC Name: 7-(3-methylphenyl)-4,7-dioxoheptanoic acid Traditional Name: 4,7-diketo-7-(m-tolyl)enanthic acid Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)CCC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)CCC(=O)CCC(=O)O

InChI

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