S1-(1-decylpyridin-1-ium-3-yl) S3-(1-decylpyridin-1-ium-3-yl)oxy benzene-1,3-dicarbothioate diiodide

Systemtic Name: S1-(1-decylpyridin-1-ium-3-yl) S3-(1-decylpyridin-1-ium-3-yl)oxy benzene-1,3-dicarbothioate diiodide Openeye Name: S1-(1-decylpyridin-1-ium-3-yl) S3-(1-decylpyridin-1-ium-3-yl)oxy benzene-1,3-dicarbothioate diiodide CAS Name: benzene-1,3-dicarbothioic acid S1-(1-decyl-3-pyridin-1-iumyl) ester S3-[(1-decyl-3-pyridin-1-iumyl)oxy] ester diiodide IUPAC Name: 1-S-(1-decylpyridin-1-ium-3-yl) 3-S-(1-decylpyridin-1-ium-3-yl)oxy benzene-1,3-dicarbothioate diiodide Traditional Name: benzene-1,3-dicarbothioic acid S1-(1-decylpyridin-1-ium-3-yl) ester S3-(1-decylpyridin-1-ium-3-yl)oxy ester diiodide Formula: C38H54I2N2O3S2 MolecularWeight: 904.7859

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1=CC=CC(=C1)OSC(=O)C2=CC=CC(=C2)C(=O)SC3=C[N+](=CC=C3)CCCCCCCCCC.[I-].[I-]

Isomeric SMILES

CCCCCCCCCC[N+]1=CC=CC(=C1)OSC(=O)C2=CC=CC(=C2)C(=O)SC3=C[N+](=CC=C3)CCCCCCCCCC.[I-].[I-]

InChI

InChI=1S/C38H54N2O3S2.2HI/c1-3-5-7-9-11-13-15-17-26-39-28-20-24-35(31-39)43-45-38(42)34-23-19-22-33(30-34)37(41)44-36-25-21-29-40(32-36)27-18-16-14-12-10-8-6-4-2;;/h19-25,28-32H,3-18,26-27H2,1-2H3;2*1H/q+2;;/p-2