[(2E)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dibutyl-azanium

Systemtic Name: [(2E)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dibutyl-azanium Openeye Name: [(2E)-2-(benzofuran-2-ylmethylene)-6-hydroxy-4-methyl-3-oxo-benzofuran-7-yl]methyl-dibutyl-ammonium CAS Name: [(2E)-2-(2-benzofuranylmethylidene)-6-hydroxy-4-methyl-3-oxo-7-benzofuranyl]methyl-dibutylammonium IUPAC Name: [(2E)-2-(1-benzofuran-2-ylmethylidene)-6-hydroxy-4-methyl-3-oxo-1-benzofuran-7-yl]methyl-dibutylazanium Traditional Name: [(2E)-2-(benzofuran-2-ylmethylene)-6-hydroxy-3-keto-4-methyl-coumaran-7-yl]methyl-dibutyl-ammonium Formula: C27H32NO4+ MolecularWeight: 434.54728

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC1=C(C=C(C2=C1OC(=CC3=CC4=CC=CC=C4O3)C2=O)C)O

Isomeric SMILES

CCCC[NH+](CCCC)CC1=C(C=C(C2=C1O/C(=C/C3=CC4=CC=CC=C4O3)/C2=O)C)O

InChI

InChI=1S/C27H31NO4/c1-4-6-12-28(13-7-5-2)17-21-22(29)14-18(3)25-26(30)24(32-27(21)25)16-20-15-19-10-8-9-11-23(19)31-20/h8-11,14-16,29H,4-7,12-13,17H2,1-3H3/p+1/b24-16+