bis(2,2-dimethylpropanoyloxy)methoxy-oxidanylidene-[(1S)-4-(3-phenoxyphenyl)-1-sulfo-butyl]phosphanium

Systemtic Name: bis(2,2-dimethylpropanoyloxy)methoxy-oxidanylidene-[(1S)-4-(3-phenoxyphenyl)-1-sulfo-butyl]phosphanium Openeye Name: bis(2,2-dimethylpropanoyloxy)methoxy-oxo-[(1S)-4-(3-phenoxyphenyl)-1-sulfo-butyl]phosphonium CAS Name: bis(2,2-dimethyl-1-oxopropoxy)methoxy-oxo-[(1S)-4-(3-phenoxyphenyl)-1-sulfobutyl]phosphonium IUPAC Name: bis(2,2-dimethylpropanoyloxy)methoxy-oxo-[(1S)-4-(3-phenoxyphenyl)-1-sulfobutyl]phosphanium Traditional Name: dipivaloyloxymethoxy-keto-[(1S)-4-(3-phenoxyphenyl)-1-sulfo-butyl]phosphonium Formula: C27H36O10PS+ MolecularWeight: 583.607501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC(OC(=O)C(C)(C)C)O[P+](=O)C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC(C)(C)C(=O)OC(OC(=O)C(C)(C)C)O[P+](=O)[C@H](CCCC1=CC(=CC=C1)OC2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C27H35O10PS/c1-26(2,3)23(28)35-25(36-24(29)27(4,5)6)37-38(30)22(39(31,32)33)17-11-13-19-12-10-16-21(18-19)34-20-14-8-7-9-15-20/h7-10,12,14-16,18,22,25H,11,13,17H2,1-6H3/p+1/t22-/m0/s1