ethyl 2-(1,4,6-triphenylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(1,4,6-triphenylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: ethyl 2-(1,4,6-triphenylpyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1,4,6-triphenyl-2-pyridin-1-iumyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(1,4,6-triphenylpyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1,4,6-triphenylpyridin-1-ium-2-yl)thio]acetic acid ethyl ester Formula: C27H24NO2S+ MolecularWeight: 426.54996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=CC(=CC(=[N+]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=CC(=CC(=[N+]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H24NO2S/c1-2-30-27(29)20-31-26-19-23(21-12-6-3-7-13-21)18-25(22-14-8-4-9-15-22)28(26)24-16-10-5-11-17-24/h3-19H,2,20H2,1H3/q+1