[2-deuterio-1-(diphenylmethyl)oxy-3-methyl-1-oxidanylidene-butan-2-yl]azanium; 4-methylbenzenesulfonate

Systemtic Name: [2-deuterio-1-(diphenylmethyl)oxy-3-methyl-1-oxidanylidene-butan-2-yl]azanium; 4-methylbenzenesulfonate Openeye Name: (1-benzhydryloxycarbonyl-1-deuterio-2-methyl-propyl)ammonium; 4-methylbenzenesulfonate CAS Name: [2-deuterio-1-(diphenylmethyl)oxy-3-methyl-1-oxobutan-2-yl]ammonium; 4-methylbenzenesulfonate IUPAC Name: (1-benzhydryloxy-2-deuterio-3-methyl-1-oxobutan-2-yl)azanium; 4-methylbenzenesulfonate Traditional Name: (1-benzhydryloxycarbonyl-1-deuterio-2-methyl-propyl)ammonium tosylate Formula: C25H29NO5S MolecularWeight: 457.565277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)C(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)[NH3+]

Isomeric SMILES

[2H]C([13CH](C)C)(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)[NH3+].CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C18H21NO2.C7H8O3S/c1-13(2)16(19)18(20)21-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-6-2-4-7(5-3-6)11(8,9)10/h3-13,16-17H,19H2,1-2H3;2-5H,1H3,(H,8,9,10)/i13+1,16D;