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

Systemtic Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[(dipropylazaniumyl)methyl]-4-methyl-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[(dipropylammonio)methyl]-4-methyl-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-(2-benzofuranylmethylidene)-7-[(dipropylammonio)methyl]-4-methyl-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[(dipropylazaniumyl)methyl]-4-methyl-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[(dipropylammonio)methyl]-3-keto-4-methyl-coumaran-6-olate Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO4/c1-4-10-26(11-5-2)15-19-20(27)12-16(3)23-24(28)22(30-25(19)23)14-18-13-17-8-6-7-9-21(17)29-18/h6-9,12-14,27H,4-5,10-11,15H2,1-3H3/b22-14-