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

Systemtic Name: dibutyl-[[(2Z)-2-[(3-methoxyphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: dibutyl-[[(2Z)-6-hydroxy-2-[(3-methoxyphenyl)methylene]-3-oxo-benzofuran-7-yl]methyl]ammonium CAS Name: dibutyl-[[(2Z)-6-hydroxy-2-[(3-methoxyphenyl)methylidene]-3-oxo-7-benzofuranyl]methyl]ammonium IUPAC Name: dibutyl-[[(2Z)-6-hydroxy-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]azanium Traditional Name: dibutyl-[[(2Z)-6-hydroxy-3-keto-2-m-anisylidene-coumaran-7-yl]methyl]ammonium Formula: C25H32NO4+ MolecularWeight: 410.52588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO4/c1-4-6-13-26(14-7-5-2)17-21-22(27)12-11-20-24(28)23(30-25(20)21)16-18-9-8-10-19(15-18)29-3/h8-12,15-16,27H,4-7,13-14,17H2,1-3H3/p+1/b23-16-