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

Systemtic Name: diethyl-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-yl]methyl]azanium Openeye Name: diethyl-[[(2Z)-6-hydroxy-3-oxo-2-[(4-phenylphenyl)methylene]benzofuran-7-yl]methyl]ammonium CAS Name: diethyl-[[(2Z)-6-hydroxy-3-oxo-2-[(4-phenylphenyl)methylidene]-7-benzofuranyl]methyl]ammonium IUPAC Name: diethyl-[[(2Z)-6-hydroxy-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-yl]methyl]azanium Traditional Name: diethyl-[[(2Z)-6-hydroxy-3-keto-2-(4-phenylbenzylidene)coumaran-7-yl]methyl]ammonium Formula: C26H26NO3+ MolecularWeight: 400.48954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO3/c1-3-27(4-2)17-22-23(28)15-14-21-25(29)24(30-26(21)22)16-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-16,28H,3-4,17H2,1-2H3/p+1/b24-16-