ethyl 2-[4-[1-[(Z)-1-ethoxy-1-oxidanyl-3-oxidanylidene-3-phenyl-prop-1-en-2-yl]pyridin-4-ylidene]pyridin-1-ium-1-ylidene]-3-oxidanylidene-3-phenyl-propanoate

Systemtic Name: ethyl 2-[4-[1-[(Z)-1-ethoxy-1-oxidanyl-3-oxidanylidene-3-phenyl-prop-1-en-2-yl]pyridin-4-ylidene]pyridin-1-ium-1-ylidene]-3-oxidanylidene-3-phenyl-propanoate Openeye Name: ethyl 2-[4-[1-[(Z)-1-benzoyl-2-ethoxy-2-hydroxy-vinyl]-4-pyridylidene]pyridin-1-ium-1-ylidene]-3-oxo-3-phenyl-propanoate CAS Name: 2-[4-[1-[(Z)-1-ethoxy-1-hydroxy-3-oxo-3-phenylprop-1-en-2-yl]-4-pyridinylidene]-1-pyridin-1-iumylidene]-3-oxo-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[1-[(Z)-1-ethoxy-1-hydroxy-3-oxo-3-phenylprop-1-en-2-yl]pyridin-4-ylidene]pyridin-1-ium-1-ylidene]-3-oxo-3-phenylpropanoate Traditional Name: 2-[4-[1-[(Z)-1-benzoyl-2-ethoxy-2-hydroxy-vinyl]-4-pyridylidene]pyridin-1-ium-1-ylidene]-3-keto-3-phenyl-propionic acid ethyl ester Formula: C32H29N2O6+ MolecularWeight: 537.58246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C1=CC=CC=C1)N2C=CC(=C3C=C[N+](=C(C(=O)C4=CC=CC=C4)C(=O)OCC)C=C3)C=C2)O

Isomeric SMILES

CCO/C(=C(/C(=O)C1=CC=CC=C1)\N2C=CC(=C3C=C[N+](=C(C(=O)C4=CC=CC=C4)C(=O)OCC)C=C3)C=C2)/O

InChI

InChI=1S/C32H28N2O6/c1-3-39-31(37)27(29(35)25-11-7-5-8-12-25)33-19-15-23(16-20-33)24-17-21-34(22-18-24)28(32(38)40-4-2)30(36)26-13-9-6-10-14-26/h5-22H,3-4H2,1-2H3/p+1