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

Systemtic Name: ethyl (2S)-2-azanylpropanoate; 4-ethylbenzenesulfonic acid Openeye Name: ethyl (2S)-2-aminopropanoate; 4-ethylbenzenesulfonic acid CAS Name: (2S)-2-aminopropanoic acid ethyl ester; 4-ethylbenzenesulfonic acid IUPAC Name: ethyl (2S)-2-aminopropanoate; 4-ethylbenzenesulfonic acid Traditional Name: (2S)-2-aminopropionic acid ethyl ester; 4-ethylbesylic acid Formula: C13H21NO5S MolecularWeight: 303.37454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10O3S.C5H11NO2/c1-2-7-3-5-8(6-4-7)12(9,10)11;1-3-8-5(7)4(2)6/h3-6H,2H2,1H3,(H,9,10,11);4H,3,6H2,1-2H3/t;4-/m.0/s1