ethyl 5,5-bis(ethylsulfanyl)-3-oxidanylidene-4-pyridin-1-ium-1-yl-pent-4-enoate iodide

Systemtic Name: ethyl 5,5-bis(ethylsulfanyl)-3-oxidanylidene-4-pyridin-1-ium-1-yl-pent-4-enoate iodide Openeye Name: ethyl 5,5-bis(ethylsulfanyl)-3-oxo-4-pyridin-1-ium-1-yl-pent-4-enoate iodide CAS Name: 5,5-bis(ethylthio)-3-oxo-4-(1-pyridin-1-iumyl)-4-pentenoic acid ethyl ester iodide IUPAC Name: ethyl 5,5-bis(ethylsulfanyl)-3-oxo-4-pyridin-1-ium-1-ylpent-4-enoate iodide Traditional Name: 5,5-bis(ethylthio)-3-keto-4-pyridin-1-ium-1-yl-pent-4-enoic acid ethyl ester iodide Formula: C16H22INO3S2 MolecularWeight: 467.38525

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C(=C(SCC)SCC)[N+]1=CC=CC=C1.[I-]

Isomeric SMILES

CCOC(=O)CC(=O)C(=C(SCC)SCC)[N+]1=CC=CC=C1.[I-]

InChI

InChI=1S/C16H22NO3S2.HI/c1-4-20-14(19)12-13(18)15(16(21-5-2)22-6-3)17-10-8-7-9-11-17;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1