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

Systemtic Name: 7-[2,4-bis(oxidanylidene)pentan-3-yl]-6-chloranyl-3-(4-methoxyphenyl)carbonyl-1-benzofuran-4,5-dione Openeye Name: 7-(1-acetyl-2-oxo-propyl)-6-chloro-3-(4-methoxybenzoyl)benzofuran-4,5-dione CAS Name: 6-chloro-7-(2,4-dioxopentan-3-yl)-3-[(4-methoxyphenyl)-oxomethyl]benzofuran-4,5-dione IUPAC Name: 6-chloro-7-(2,4-dioxopentan-3-yl)-3-(4-methoxybenzoyl)-1-benzofuran-4,5-dione Traditional Name: 7-(1-acetyl-2-keto-propyl)-6-chloro-3-p-anisoyl-benzofuran-4,5-quinone Formula: C21H15ClO7 MolecularWeight: 414.7926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=C(C(=O)C(=O)C2=C1OC=C2C(=O)C3=CC=C(C=C3)OC)Cl)C(=O)C

Isomeric SMILES

CC(=O)C(C1=C(C(=O)C(=O)C2=C1OC=C2C(=O)C3=CC=C(C=C3)OC)Cl)C(=O)C

InChI

InChI=1S/C21H15ClO7/c1-9(23)14(10(2)24)16-17(22)20(27)19(26)15-13(8-29-21(15)16)18(25)11-4-6-12(28-3)7-5-11/h4-8,14H,1-3H3