dimethyl 1-[(E)-1-methoxy-3-methoxycarbonyl-1,6-bis(oxidanylidene)-4,5-diphenyl-hex-4-en-2-ylidene]-4-propan-2-yl-pyrazolidin-1-ium-3,3-dicarboxylate

Systemtic Name: dimethyl 1-[(E)-1-methoxy-3-methoxycarbonyl-1,6-bis(oxidanylidene)-4,5-diphenyl-hex-4-en-2-ylidene]-4-propan-2-yl-pyrazolidin-1-ium-3,3-dicarboxylate Openeye Name: dimethyl 1-[(E)-1,2-bis(methoxycarbonyl)-5-oxo-3,4-diphenyl-pent-3-enylidene]-4-isopropyl-pyrazolidin-1-ium-3,3-dicarboxylate CAS Name: 1-[(E)-1-methoxy-3-methoxycarbonyl-1,6-dioxo-4,5-diphenylhex-4-en-2-ylidene]-4-propan-2-ylpyrazolidin-1-ium-3,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[(E)-1-methoxy-3-methoxycarbonyl-1,6-dioxo-4,5-diphenylhex-4-en-2-ylidene]-4-propan-2-ylpyrazolidin-1-ium-3,3-dicarboxylate Traditional Name: 1-[(E)-1,2-dicarbomethoxy-5-keto-3,4-diphenyl-pent-3-enylidene]-4-isopropyl-pyrazolidin-1-ium-3,3-dicarboxylic acid dimethyl ester Formula: C31H35N2O9+ MolecularWeight: 579.6176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C[N+](=C(C(C(=C(C=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)C(=O)OC)NC1(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)C1C[N+](=C(C(/C(=C(\C=O)/C2=CC=CC=C2)/C3=CC=CC=C3)C(=O)OC)C(=O)OC)NC1(C(=O)OC)C(=O)OC

InChI

InChI=1S/C31H34N2O9/c1-19(2)23-17-33(32-31(23,29(37)41-5)30(38)42-6)26(28(36)40-4)25(27(35)39-3)24(21-15-11-8-12-16-21)22(18-34)20-13-9-7-10-14-20/h7-16,18-19,23,25H,17H2,1-6H3/p+1/b24-22+