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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC4=CC=CC=C4O3)O2)C[NH+](CC(C)C)CC(C)C)O

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC4=CC=CC=C4O3)/O2)C[NH+](CC(C)C)CC(C)C)O

InChI

InChI=1S/C27H31NO4/c1-16(2)13-28(14-17(3)4)15-21-22(29)10-18(5)25-26(30)24(32-27(21)25)12-20-11-19-8-6-7-9-23(19)31-20/h6-12,16-17,29H,13-15H2,1-5H3/p+1/b24-12-