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

Systemtic Name: dibutyl-[[(2Z)-2-(furan-2-ylmethylidene)-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: dibutyl-[[(2Z)-2-(2-furylmethylene)-6-hydroxy-3-oxo-benzofuran-7-yl]methyl]ammonium CAS Name: dibutyl-[[(2Z)-2-(2-furanylmethylidene)-6-hydroxy-3-oxo-7-benzofuranyl]methyl]ammonium IUPAC Name: dibutyl-[[(2Z)-2-(furan-2-ylmethylidene)-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl]azanium Traditional Name: dibutyl-[[(2Z)-2-(2-furfurylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl]ammonium Formula: C22H28NO4+ MolecularWeight: 370.46202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC1=C(C=CC2=C1OC(=CC3=CC=CO3)C2=O)O

Isomeric SMILES

CCCC[NH+](CCCC)CC1=C(C=CC2=C1O/C(=C\C3=CC=CO3)/C2=O)O

InChI

InChI=1S/C22H27NO4/c1-3-5-11-23(12-6-4-2)15-18-19(24)10-9-17-21(25)20(27-22(17)18)14-16-8-7-13-26-16/h7-10,13-14,24H,3-6,11-12,15H2,1-2H3/p+1/b20-14-