[2-[(4-tert-butylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 2-chloranylbenzoate

Systemtic Name: [2-[(4-tert-butylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 2-chloranylbenzoate Openeye Name: [2-[(4-tert-butylphenyl)methylene]-3-oxo-benzofuran-6-yl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [2-[(4-tert-butylphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(4-tert-butylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [2-(4-tert-butylbenzylidene)-3-keto-coumaran-6-yl] ester Formula: C26H21ClO4 MolecularWeight: 432.89554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C26H21ClO4/c1-26(2,3)17-10-8-16(9-11-17)14-23-24(28)20-13-12-18(15-22(20)31-23)30-25(29)19-6-4-5-7-21(19)27/h4-15H,1-3H3