(2Z)-2-[(4-tert-butylphenyl)methylidene]-7-[(diethylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(4-tert-butylphenyl)methylidene]-7-[(diethylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(4-tert-butylphenyl)methylene]-7-[(diethylammonio)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(4-tert-butylphenyl)methylidene]-7-[(diethylammonio)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(4-tert-butylphenyl)methylidene]-7-[(diethylazaniumyl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(4-tert-butylbenzylidene)-7-[(diethylammonio)methyl]-3-keto-coumaran-6-olate Formula: C24H29NO3 MolecularWeight: 379.49196

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC(=CC3=CC=C(C=C3)C(C)(C)C)C2=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1O/C(=C\C3=CC=C(C=C3)C(C)(C)C)/C2=O)[O-]

InChI

InChI=1S/C24H29NO3/c1-6-25(7-2)15-19-20(26)13-12-18-22(27)21(28-23(18)19)14-16-8-10-17(11-9-16)24(3,4)5/h8-14,26H,6-7,15H2,1-5H3/b21-14-