3-[2-(2-butyl-1-benzofuran-7-yl)-4-chloranyl-phenyl]carbonyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-[2-(2-butyl-1-benzofuran-7-yl)-4-chloranyl-phenyl]carbonyl-1-benzofuran-2-carboxylic acid Openeye Name: 3-[2-(2-butylbenzofuran-7-yl)-4-chloro-benzoyl]benzofuran-2-carboxylic acid CAS Name: 3-[[2-(2-butyl-7-benzofuranyl)-4-chlorophenyl]-oxomethyl]-2-benzofurancarboxylic acid IUPAC Name: 3-[2-(2-butyl-1-benzofuran-7-yl)-4-chlorobenzoyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[2-(2-butylbenzofuran-7-yl)-4-chloro-benzoyl]coumarilic acid Formula: C28H21ClO5 MolecularWeight: 472.91634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(O1)C(=CC=C2)C3=C(C=CC(=C3)Cl)C(=O)C4=C(OC5=CC=CC=C54)C(=O)O

Isomeric SMILES

CCCCC1=CC2=C(O1)C(=CC=C2)C3=C(C=CC(=C3)Cl)C(=O)C4=C(OC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C28H21ClO5/c1-2-3-8-18-14-16-7-6-10-20(26(16)33-18)22-15-17(29)12-13-19(22)25(30)24-21-9-4-5-11-23(21)34-27(24)28(31)32/h4-7,9-15H,2-3,8H2,1H3,(H,31,32)