[(2S)-3-(4-hydroxyphenyl)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]azanium; 4-methylbenzenesulfonate

Systemtic Name: [(2S)-3-(4-hydroxyphenyl)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]azanium; 4-methylbenzenesulfonate Openeye Name: [(1S)-2-benzyloxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]ammonium; 4-methylbenzenesulfonate CAS Name: [(2S)-3-(4-hydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]ammonium; 4-methylbenzenesulfonate IUPAC Name: [(2S)-3-(4-hydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium; 4-methylbenzenesulfonate Traditional Name: [(1S)-2-benzoxy-1-(4-hydroxybenzyl)-2-keto-ethyl]ammonium tosylate Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)COC(=O)C(CC2=CC=C(C=C2)O)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)COC(=O)[C@H](CC2=CC=C(C=C2)O)[NH3+]

InChI

InChI=1S/C16H17NO3.C7H8O3S/c17-15(10-12-6-8-14(18)9-7-12)16(19)20-11-13-4-2-1-3-5-13;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,15,18H,10-11,17H2;2-5H,1H3,(H,8,9,10)/t15-;/m0./s1