2,4-dimethylbenzenesulfonic acid; methyl (2S)-2-azanylpropanoate

Systemtic Name: 2,4-dimethylbenzenesulfonic acid; methyl (2S)-2-azanylpropanoate Openeye Name: 2,4-dimethylbenzenesulfonic acid; methyl (2S)-2-aminopropanoate CAS Name: (2S)-2-aminopropanoic acid methyl ester; 2,4-dimethylbenzenesulfonic acid IUPAC Name: 2,4-dimethylbenzenesulfonic acid; methyl (2S)-2-aminopropanoate Traditional Name: (2S)-2-aminopropionic acid methyl ester; 2,4-dimethylbesylic acid Formula: C12H19NO5S MolecularWeight: 289.34796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)C.CC(C(=O)OC)N

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)C.C[C@@H](C(=O)OC)N

InChI

InChI=1S/C8H10O3S.C4H9NO2/c1-6-3-4-8(7(2)5-6)12(9,10)11;1-3(5)4(6)7-2/h3-5H,1-2H3,(H,9,10,11);3H,5H2,1-2H3/t;3-/m.0/s1