(4E)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)-1-(oxolan-2-ylmethyl)-3-pyridin-1-ium-1-yl-pyrrol-2-olate

Systemtic Name: (4E)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)-1-(oxolan-2-ylmethyl)-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)-3-pyridin-1-ium-1-yl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-2-olate CAS Name: (4E)-5-oxo-1-(2-oxolanylmethyl)-4-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-5-oxo-1-(oxolan-2-ylmethyl)-4-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-5-keto-4-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)-3-pyridin-1-ium-1-yl-1-(tetrahydrofurfuryl)-2-pyrrolin-2-olate Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3CCCO3)[O-])[N+]4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)CC3CCCO3)[O-])[N+]4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O4/c1-2-10-20-21(25(32)30(27-20)18-11-5-3-6-12-18)22-23(28-14-7-4-8-15-28)26(33)29(24(22)31)17-19-13-9-16-34-19/h3-8,11-12,14-15,19H,2,9-10,13,16-17H2,1H3