3,4-bis(furan-2-yl)thiophene-2,5-dicarboxylate; diethyl-(2-hydroxyethyl)-methyl-azanium; iodide

Systemtic Name: 3,4-bis(furan-2-yl)thiophene-2,5-dicarboxylate; diethyl-(2-hydroxyethyl)-methyl-azanium; iodide Openeye Name: 3,4-bis(2-furyl)thiophene-2,5-dicarboxylate; diethyl-(2-hydroxyethyl)-methyl-ammonium; iodide CAS Name: 3,4-bis(2-furanyl)thiophene-2,5-dicarboxylate; diethyl-(2-hydroxyethyl)-methylammonium; iodide IUPAC Name: 3,4-bis(furan-2-yl)thiophene-2,5-dicarboxylate; diethyl-(2-hydroxyethyl)-methylazanium; iodide Traditional Name: 3,4-bis(2-furyl)thiophene-2,5-dicarboxylate; diethyl-(2-hydroxyethyl)-methyl-ammonium; iodide Formula: C21H24INO7S-2 MolecularWeight: 561.38723

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCO.C1=COC(=C1)C2=C(SC(=C2C3=CC=CO3)C(=O)[O-])C(=O)[O-].[I-]

Isomeric SMILES

CC[N+](C)(CC)CCO.C1=COC(=C1)C2=C(SC(=C2C3=CC=CO3)C(=O)[O-])C(=O)[O-].[I-]

InChI

InChI=1S/C14H8O6S.C7H18NO.HI/c15-13(16)11-9(7-3-1-5-19-7)10(8-4-2-6-20-8)12(21-11)14(17)18;1-4-8(3,5-2)6-7-9;/h1-6H,(H,15,16)(H,17,18);9H,4-7H2,1-3H3;1H/q;+1;/p-3