dibutyl-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-yl]methyl]azanium

Systemtic Name: dibutyl-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-yl]methyl]azanium Openeye Name: dibutyl-[[(2Z)-6-hydroxy-3-oxo-2-[(4-phenylphenyl)methylene]benzofuran-7-yl]methyl]ammonium CAS Name: dibutyl-[[(2Z)-6-hydroxy-3-oxo-2-[(4-phenylphenyl)methylidene]-7-benzofuranyl]methyl]ammonium IUPAC Name: dibutyl-[[(2Z)-6-hydroxy-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-yl]methyl]azanium Traditional Name: dibutyl-[[(2Z)-6-hydroxy-3-keto-2-(4-phenylbenzylidene)coumaran-7-yl]methyl]ammonium Formula: C30H34NO3+ MolecularWeight: 456.59586

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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/p+1/b28-20-