2-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoyloxy]ethyl-triphenyl-phosphanium bromide

Systemtic Name: 2-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoyloxy]ethyl-triphenyl-phosphanium bromide Openeye Name: 2-[(1-carboxy-2-methyl-propyl)carbamoyloxy]ethyl-triphenyl-phosphonium bromide CAS Name: 2-[[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-oxomethoxy]ethyl-triphenylphosphonium bromide IUPAC Name: 2-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)carbamoyloxy]ethyl-triphenylphosphanium bromide Traditional Name: 2-[(1-carboxy-2-methyl-propyl)carbamoyloxy]ethyl-triphenyl-phosphonium bromide Formula: C26H29BrNO4P MolecularWeight: 530.390521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)OCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)OCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C26H28NO4P.BrH/c1-20(2)24(25(28)29)27-26(30)31-18-19-32(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-17,20,24H,18-19H2,1-2H3,(H-,27,28,29,30);1H