[(E)-4-(4-methoxy-2,3,6-trimethyl-phenyl)but-3-en-2-yl]-triphenyl-phosphanium chloride

Systemtic Name: [(E)-4-(4-methoxy-2,3,6-trimethyl-phenyl)but-3-en-2-yl]-triphenyl-phosphanium chloride Openeye Name: [(E)-3-(4-methoxy-2,3,6-trimethyl-phenyl)-1-methyl-allyl]-triphenyl-phosphonium chloride CAS Name: [(E)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-yl]-triphenylphosphonium chloride IUPAC Name: [(E)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-yl]-triphenylphosphanium chloride Traditional Name: [(E)-3-(4-methoxy-2,3,6-trimethyl-phenyl)-1-methyl-allyl]-triphenyl-phosphonium chloride Formula: C32H34ClOP MolecularWeight: 501.038521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C=CC(C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)C)OC.[Cl-]

Isomeric SMILES

CC1=CC(=C(C(=C1/C=C/C(C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)C)OC.[Cl-]

InChI

InChI=1S/C32H34OP.ClH/c1-24-23-32(33-5)27(4)26(3)31(24)22-21-25(2)34(28-15-9-6-10-16-28,29-17-11-7-12-18-29)30-19-13-8-14-20-30;/h6-23,25H,1-5H3;1H/q+1;/p-1/b22-21+;