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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33NO3/c1-20(2)17-31(18-21(3)4)19-26-27(32)15-14-25-29(33)28(34-30(25)26)16-22-10-12-24(13-11-22)23-8-6-5-7-9-23/h5-16,20-21,32H,17-19H2,1-4H3/p+1/b28-16-