(2Z)-7-[(dibutylazaniumyl)methyl]-3-oxidanylidene-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[(dibutylazaniumyl)methyl]-3-oxidanylidene-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dibutylammonio)methyl]-3-oxo-2-[(4-phenylphenyl)methylene]benzofuran-6-olate CAS Name: (2Z)-7-[(dibutylammonio)methyl]-3-oxo-2-[(4-phenylphenyl)methylidene]-6-benzofuranolate IUPAC Name: (2Z)-7-[(dibutylazaniumyl)methyl]-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dibutylammonio)methyl]-3-keto-2-(4-phenylbenzylidene)coumaran-6-olate Formula: C30H33NO3 MolecularWeight: 455.58792

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC1=C(C=CC2=C1OC(=CC3=CC=C(C=C3)C4=CC=CC=C4)C2=O)[O-]

Isomeric SMILES

CCCC[NH+](CCCC)CC1=C(C=CC2=C1O/C(=C\C3=CC=C(C=C3)C4=CC=CC=C4)/C2=O)[O-]

InChI

InChI=1S/C30H33NO3/c1-3-5-18-31(19-6-4-2)21-26-27(32)17-16-25-29(33)28(34-30(25)26)20-22-12-14-24(15-13-22)23-10-8-7-9-11-23/h7-17,20,32H,3-6,18-19,21H2,1-2H3/b28-20-