4-ethylbenzenesulfonic acid; methyl (2S)-2-azanylpropanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)O.CC(C(=O)OC)N

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)O.C[C@@H](C(=O)OC)N

InChI

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