ethyl 2-[(5-pyrrolidin-1-ium-1-ylidene-1,2-dithiol-3-yl)sulfanyl]ethanoate iodide

Systemtic Name: ethyl 2-[(5-pyrrolidin-1-ium-1-ylidene-1,2-dithiol-3-yl)sulfanyl]ethanoate iodide Openeye Name: ethyl 2-(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)sulfanylacetate iodide CAS Name: 2-[[5-(1-pyrrolidin-1-iumylidene)-3-dithiolyl]thio]acetic acid ethyl ester iodide IUPAC Name: ethyl 2-(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)sulfanylacetate iodide Traditional Name: 2-[(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)thio]acetic acid ethyl ester iodide Formula: C11H16INO2S3 MolecularWeight: 417.34971

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=CC(=[N+]2CCCC2)SS1.[I-]

Isomeric SMILES

CCOC(=O)CSC1=CC(=[N+]2CCCC2)SS1.[I-]

InChI

InChI=1S/C11H16NO2S3.HI/c1-2-14-10(13)8-15-11-7-9(16-17-11)12-5-3-4-6-12;/h7H,2-6,8H2,1H3;1H/q+1;/p-1