[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate CAS Name: (2S)-2-(4-nitrophenyl)sulfonylpropanoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate Traditional Name: (2S)-2-nosylpropionic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C19H19NO7S MolecularWeight: 405.42166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C(C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)[C@H](C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19NO7S/c1-3-14-4-6-15(7-5-14)18(21)12-27-19(22)13(2)28(25,26)17-10-8-16(9-11-17)20(23)24/h4-11,13H,3,12H2,1-2H3/t13-/m0/s1