4-(3-methylphenyl)carbonyl-4-propanoyl-heptane-3,5-dione

Systemtic Name: 4-(3-methylphenyl)carbonyl-4-propanoyl-heptane-3,5-dione Openeye Name: 4-(3-methylbenzoyl)-4-propanoyl-heptane-3,5-dione CAS Name: 4-[(3-methylphenyl)-oxomethyl]-4-(1-oxopropyl)heptane-3,5-dione IUPAC Name: 4-(3-methylbenzoyl)-4-propanoylheptane-3,5-dione Traditional Name: 4-m-toluoyl-4-propionyl-heptane-3,5-dione Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O4/c1-5-14(19)18(15(20)6-2,16(21)7-3)17(22)13-10-8-9-12(4)11-13/h8-11H,5-7H2,1-4H3