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

Systemtic Name: [(2Z)-6-oxidanyl-3-oxidanylidene-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-yl]methyl-dipropyl-azanium Openeye Name: [(2Z)-6-hydroxy-3-oxo-2-[(4-phenylphenyl)methylene]benzofuran-7-yl]methyl-dipropyl-ammonium CAS Name: [(2Z)-6-hydroxy-3-oxo-2-[(4-phenylphenyl)methylidene]-7-benzofuranyl]methyl-dipropylammonium IUPAC Name: [(2Z)-6-hydroxy-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-yl]methyl-dipropylazanium Traditional Name: [(2Z)-6-hydroxy-3-keto-2-(4-phenylbenzylidene)coumaran-7-yl]methyl-dipropyl-ammonium Formula: C28H30NO3+ MolecularWeight: 428.5427

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO3/c1-3-16-29(17-4-2)19-24-25(30)15-14-23-27(31)26(32-28(23)24)18-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-15,18,30H,3-4,16-17,19H2,1-2H3/p+1/b26-18-