tris(5-tert-butylthiophen-2-yl)-methyl-phosphanium iodide

Systemtic Name: tris(5-tert-butylthiophen-2-yl)-methyl-phosphanium iodide Openeye Name: tris(5-tert-butyl-2-thienyl)-methyl-phosphonium iodide CAS Name: tris(5-tert-butyl-2-thiophenyl)-methylphosphonium iodide IUPAC Name: tris(5-tert-butylthiophen-2-yl)-methylphosphanium iodide Traditional Name: tris(5-tert-butyl-2-thienyl)-methyl-phosphonium iodide Formula: C25H36IPS3 MolecularWeight: 590.626571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(S1)[P+](C)(C2=CC=C(S2)C(C)(C)C)C3=CC=C(S3)C(C)(C)C.[I-]

Isomeric SMILES

CC(C)(C)C1=CC=C(S1)[P+](C)(C2=CC=C(S2)C(C)(C)C)C3=CC=C(S3)C(C)(C)C.[I-]

InChI

InChI=1S/C25H36PS3.HI/c1-23(2,3)17-11-14-20(27-17)26(10,21-15-12-18(28-21)24(4,5)6)22-16-13-19(29-22)25(7,8)9;/h11-16H,1-10H3;1H/q+1;/p-1