2-[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)carbamoyloxy]ethyl-triphenyl-phosphanium

Systemtic Name: 2-[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)carbamoyloxy]ethyl-triphenyl-phosphanium Openeye Name: 2-[(1-carboxy-3-methyl-butyl)carbamoyloxy]ethyl-triphenyl-phosphonium CAS Name: 2-[[(1-hydroxy-4-methyl-1-oxopentan-2-yl)amino]-oxomethoxy]ethyl-triphenylphosphonium IUPAC Name: 2-[(1-hydroxy-4-methyl-1-oxopentan-2-yl)carbamoyloxy]ethyl-triphenylphosphanium Traditional Name: 2-[(1-carboxy-3-methyl-butyl)carbamoyloxy]ethyl-triphenyl-phosphonium Formula: C27H31NO4P+ MolecularWeight: 464.513101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30NO4P/c1-21(2)20-25(26(29)30)28-27(31)32-18-19-33(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,21,25H,18-20H2,1-2H3,(H-,28,29,30,31)/p+1