(2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[(dibutylazaniumyl)methyl]-4-methyl-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[(dibutylazaniumyl)methyl]-4-methyl-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[(dibutylammonio)methyl]-4-methyl-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-(2-benzofuranylmethylidene)-7-[(dibutylammonio)methyl]-4-methyl-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[(dibutylazaniumyl)methyl]-4-methyl-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[(dibutylammonio)methyl]-3-keto-4-methyl-coumaran-6-olate Formula: C27H31NO4 MolecularWeight: 433.53934

Click to see the large picture

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/b24-16-