[(E)-3-(3,3-dimethyl-2H-1-benzothiophen-5-yl)but-2-enyl]-triphenyl-phosphanium

Systemtic Name: [(E)-3-(3,3-dimethyl-2H-1-benzothiophen-5-yl)but-2-enyl]-triphenyl-phosphanium Openeye Name: [(E)-3-(3,3-dimethyl-2H-benzothiophen-5-yl)but-2-enyl]-triphenyl-phosphonium CAS Name: [(E)-3-(3,3-dimethyl-2H-1-benzothiophen-5-yl)but-2-enyl]-triphenylphosphonium IUPAC Name: [(E)-3-(3,3-dimethyl-2H-1-benzothiophen-5-yl)but-2-enyl]-triphenylphosphanium Traditional Name: [(E)-3-(3,3-dimethyl-2H-benzothiophen-5-yl)but-2-enyl]-triphenyl-phosphonium Formula: C32H32PS+ MolecularWeight: 479.635241

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)SCC5(C)C

Isomeric SMILES

C/C(=C\C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C4=CC5=C(C=C4)SCC5(C)C

InChI

InChI=1S/C32H32PS/c1-25(26-19-20-31-30(23-26)32(2,3)24-34-31)21-22-33(27-13-7-4-8-14-27,28-15-9-5-10-16-28)29-17-11-6-12-18-29/h4-21,23H,22,24H2,1-3H3/q+1/b25-21+