7-[2,4-bis(oxidanylidene)pentan-3-yl]-6-chloranyl-3-(4-methylphenyl)carbonyl-1-benzofuran-4,5-dione

Systemtic Name: 7-[2,4-bis(oxidanylidene)pentan-3-yl]-6-chloranyl-3-(4-methylphenyl)carbonyl-1-benzofuran-4,5-dione Openeye Name: 7-(1-acetyl-2-oxo-propyl)-6-chloro-3-(4-methylbenzoyl)benzofuran-4,5-dione CAS Name: 6-chloro-7-(2,4-dioxopentan-3-yl)-3-[(4-methylphenyl)-oxomethyl]benzofuran-4,5-dione IUPAC Name: 6-chloro-7-(2,4-dioxopentan-3-yl)-3-(4-methylbenzoyl)-1-benzofuran-4,5-dione Traditional Name: 7-(1-acetyl-2-keto-propyl)-6-chloro-3-p-toluoyl-benzofuran-4,5-quinone Formula: C21H15ClO6 MolecularWeight: 398.7932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=O)C(=O)C(=C3C(C(=O)C)C(=O)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=O)C(=O)C(=C3C(C(=O)C)C(=O)C)Cl

InChI

InChI=1S/C21H15ClO6/c1-9-4-6-12(7-5-9)18(25)13-8-28-21-15(13)19(26)20(27)17(22)16(21)14(10(2)23)11(3)24/h4-8,14H,1-3H3