1,3,4-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]-5-prop-2-enoxy-benzene; triphenylphosphanium; bromide

Systemtic Name: 1,3,4-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]-5-prop-2-enoxy-benzene; triphenylphosphanium; bromide Openeye Name: 1-allyloxy-2,3,5-trimethyl-4-[(1E,3E)-3-methylpenta-1,3-dienyl]benzene; triphenylphosphonium; bromide CAS Name: 1,3,4-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]-5-prop-2-enoxybenzene; triphenylphosphonium; bromide IUPAC Name: 1,3,4-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]-5-prop-2-enoxybenzene; triphenylphosphanium; bromide Traditional Name: 1-allyloxy-2,3,5-trimethyl-4-[(1E,3E)-3-methylpenta-1,3-dienyl]benzene; triphenylphosphonium; bromide Formula: C36H40BrOP MolecularWeight: 599.579961

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C=CC1=C(C(=C(C=C1C)OCC=C)C)C.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C/C=C(\C)/C=C/C1=C(C(=C(C=C1C)OCC=C)C)C.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H24O.C18H15P.BrH/c1-7-11-19-18-12-14(4)17(15(5)16(18)6)10-9-13(3)8-2;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h7-10,12H,1,11H2,2-6H3;1-15H;1H/b10-9+,13-8+;;