[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]methyl-triphenylphosphanium bromide Traditional Name: [4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]benzyl]-triphenyl-phosphonium bromide Formula: C44H41BrNO2P MolecularWeight: 726.679601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)CC5C6=CC=CC=C6OC7=CC=CC=C57.[Br-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)CC5C6=CC=CC=C6OC7=CC=CC=C57.[Br-]

InChI

InChI=1S/C44H40NO2P.BrH/c1-44(2,3)39-28-27-32(31-48(33-17-7-4-8-18-33,34-19-9-5-10-20-34)35-21-11-6-12-22-35)29-40(39)45-43(46)30-38-36-23-13-15-25-41(36)47-42-26-16-14-24-37(38)42;/h4-29,38H,30-31H2,1-3H3;1H