2,4-bis(iodanyl)-6-(2-pyrrolidin-1-ium-1-ylidene-1,3-dithiol-4-yl)phenol perchlorate

Systemtic Name: 2,4-bis(iodanyl)-6-(2-pyrrolidin-1-ium-1-ylidene-1,3-dithiol-4-yl)phenol perchlorate Openeye Name: 2,4-diiodo-6-(2-pyrrolidin-1-ium-1-ylidene-1,3-dithiol-4-yl)phenol perchlorate CAS Name: 2,4-diiodo-6-[2-(1-pyrrolidin-1-iumylidene)-1,3-dithiol-4-yl]phenol perchlorate IUPAC Name: 2,4-diiodo-6-(2-pyrrolidin-1-ium-1-ylidene-1,3-dithiol-4-yl)phenol perchlorate Traditional Name: 2,4-diiodo-6-(2-pyrrolidin-1-ium-1-ylidene-1,3-dithiol-4-yl)phenol perchlorate Formula: C13H12ClI2NO5S2 MolecularWeight: 615.63002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2SC=C(S2)C3=CC(=CC(=C3O)I)I)C1.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1CC[N+](=C2SC=C(S2)C3=CC(=CC(=C3O)I)I)C1.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C13H11I2NOS2.ClHO4/c14-8-5-9(12(17)10(15)6-8)11-7-18-13(19-11)16-3-1-2-4-16;2-1(3,4)5/h5-7H,1-4H2;(H,2,3,4,5)