3-bromanyl-4-[4-oxidanylidene-4-(4,5,7-trimethyl-1-benzofuran-2-yl)butanoyl]benzoic acid

Systemtic Name: 3-bromanyl-4-[4-oxidanylidene-4-(4,5,7-trimethyl-1-benzofuran-2-yl)butanoyl]benzoic acid Openeye Name: 3-bromo-4-[4-oxo-4-(4,5,7-trimethylbenzofuran-2-yl)butanoyl]benzoic acid CAS Name: 3-bromo-4-[1,4-dioxo-4-(4,5,7-trimethyl-2-benzofuranyl)butyl]benzoic acid IUPAC Name: 3-bromo-4-[4-oxo-4-(4,5,7-trimethyl-1-benzofuran-2-yl)butanoyl]benzoic acid Traditional Name: 3-bromo-4-[4-keto-4-(4,5,7-trimethylbenzofuran-2-yl)butanoyl]benzoic acid Formula: C22H19BrO5 MolecularWeight: 443.28726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1C)C=C(O2)C(=O)CCC(=O)C3=C(C=C(C=C3)C(=O)O)Br)C

Isomeric SMILES

CC1=CC(=C2C(=C1C)C=C(O2)C(=O)CCC(=O)C3=C(C=C(C=C3)C(=O)O)Br)C

InChI

InChI=1S/C22H19BrO5/c1-11-8-12(2)21-16(13(11)3)10-20(28-21)19(25)7-6-18(24)15-5-4-14(22(26)27)9-17(15)23/h4-5,8-10H,6-7H2,1-3H3,(H,26,27)