(E)-3-[(4-bromophenyl)-ethanoyl-amino]-1,4-bis[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-2-triphenylphosphaniumyl-but-1-en-1-olate

Systemtic Name: (E)-3-[(4-bromophenyl)-ethanoyl-amino]-1,4-bis[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-2-triphenylphosphaniumyl-but-1-en-1-olate Openeye Name: (E)-3-(N-acetyl-4-bromo-anilino)-1,4-ditert-butoxy-4-oxo-2-triphenylphosphaniumyl-but-1-en-1-olate CAS Name: (E)-3-(N-acetyl-4-bromoanilino)-1,4-bis[(2-methylpropan-2-yl)oxy]-4-oxo-2-triphenylphosphiniumyl-1-buten-1-olate IUPAC Name: (E)-3-(N-acetyl-4-bromoanilino)-1,4-bis[(2-methylpropan-2-yl)oxy]-4-oxo-2-triphenylphosphaniumylbut-1-en-1-olate Traditional Name: (E)-3-(N-acetyl-4-bromo-anilino)-1,4-ditert-butoxy-4-keto-2-triphenylphosphiniumyl-but-1-en-1-olate Formula: C38H41BrNO5P MolecularWeight: 702.613601

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=C(C=C1)Br)C(C(=C([O-])OC(C)(C)C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)N(C1=CC=C(C=C1)Br)C(/C(=C(/[O-])\OC(C)(C)C)/[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C38H41BrNO5P/c1-27(41)40(29-25-23-28(39)24-26-29)33(35(42)44-37(2,3)4)34(36(43)45-38(5,6)7)46(30-17-11-8-12-18-30,31-19-13-9-14-20-31)32-21-15-10-16-22-32/h8-26,33H,1-7H3/b36-34+