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

Systemtic Name: bis(2-methoxyethyl)-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-yl]methyl]azanium Openeye Name: [(2Z)-6-hydroxy-3-oxo-2-[(4-phenylphenyl)methylene]benzofuran-7-yl]methyl-bis(2-methoxyethyl)ammonium CAS Name: [(2Z)-6-hydroxy-3-oxo-2-[(4-phenylphenyl)methylidene]-7-benzofuranyl]methyl-bis(2-methoxyethyl)ammonium IUPAC Name: [(2Z)-6-hydroxy-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-yl]methyl-bis(2-methoxyethyl)azanium Traditional Name: [(2Z)-6-hydroxy-3-keto-2-(4-phenylbenzylidene)coumaran-7-yl]methyl-bis(2-methoxyethyl)ammonium Formula: C28H30NO5+ MolecularWeight: 460.5415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO5/c1-32-16-14-29(15-17-33-2)19-24-25(30)13-12-23-27(31)26(34-28(23)24)18-20-8-10-22(11-9-20)21-6-4-3-5-7-21/h3-13,18,30H,14-17,19H2,1-2H3/p+1/b26-18-