4-[5-(3-bromanyl-5-chloranyl-4,7-dimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[5-(3-bromanyl-5-chloranyl-4,7-dimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(3-bromo-5-chloro-4,7-dimethyl-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(3-bromo-5-chloro-4,7-dimethyl-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(3-bromo-5-chloro-4,7-dimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(3-bromo-5-chloro-4,7-dimethyl-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C21H15BrClNO3 MolecularWeight: 444.7057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1OC(=C2Br)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C)Cl

Isomeric SMILES

CC1=CC(=C(C2=C1OC(=C2Br)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C)Cl

InChI

InChI=1S/C21H15BrClNO3/c1-10-9-14(23)11(2)17-18(22)20(27-19(10)17)16-8-7-15(24-16)12-3-5-13(6-4-12)21(25)26/h3-9,24H,1-2H3,(H,25,26)