tris[3-(2-chlorophenyl)-5-[2-(dimethylamino)ethenyl]-4-ethoxycarbonyl-thiophen-2-yl]-methyl-phosphanium

Systemtic Name: tris[3-(2-chlorophenyl)-5-[2-(dimethylamino)ethenyl]-4-ethoxycarbonyl-thiophen-2-yl]-methyl-phosphanium Openeye Name: tris[3-(2-chlorophenyl)-5-[2-(dimethylamino)vinyl]-4-ethoxycarbonyl-2-thienyl]-methyl-phosphonium CAS Name: tris[3-(2-chlorophenyl)-5-[2-(dimethylamino)ethenyl]-4-ethoxycarbonyl-2-thiophenyl]-methylphosphonium IUPAC Name: tris[3-(2-chlorophenyl)-5-[2-(dimethylamino)ethenyl]-4-ethoxycarbonylthiophen-2-yl]-methylphosphanium Traditional Name: tris[4-carbethoxy-3-(2-chlorophenyl)-5-[2-(dimethylamino)vinyl]-2-thienyl]-methyl-phosphonium Formula: C52H54Cl3N3O6PS3+ MolecularWeight: 1050.529421

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2Cl)[P+](C)(C3=C(C(=C(S3)C=CN(C)C)C(=O)OCC)C4=CC=CC=C4Cl)C5=C(C(=C(S5)C=CN(C)C)C(=O)OCC)C6=CC=CC=C6Cl)C=CN(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2Cl)[P+](C)(C3=C(C(=C(S3)C=CN(C)C)C(=O)OCC)C4=CC=CC=C4Cl)C5=C(C(=C(S5)C=CN(C)C)C(=O)OCC)C6=CC=CC=C6Cl)C=CN(C)C

InChI

InChI=1S/C52H54Cl3N3O6PS3/c1-11-62-47(59)44-38(26-29-56(4)5)66-50(41(44)32-20-14-17-23-35(32)53)65(10,51-42(33-21-15-18-24-36(33)54)45(48(60)63-12-2)39(67-51)27-30-57(6)7)52-43(34-22-16-19-25-37(34)55)46(49(61)64-13-3)40(68-52)28-31-58(8)9/h14-31H,11-13H2,1-10H3/q+1