2,5-dimethylbenzenesulfonic acid; ethyl (2S)-2-azanylpropanoate

Systemtic Name: 2,5-dimethylbenzenesulfonic acid; ethyl (2S)-2-azanylpropanoate Openeye Name: 2,5-dimethylbenzenesulfonic acid; ethyl (2S)-2-aminopropanoate CAS Name: (2S)-2-aminopropanoic acid ethyl ester; 2,5-dimethylbenzenesulfonic acid IUPAC Name: 2,5-dimethylbenzenesulfonic acid; ethyl (2S)-2-aminopropanoate Traditional Name: (2S)-2-aminopropionic acid ethyl ester; 2,5-dimethylbesylic acid Formula: C13H21NO5S MolecularWeight: 303.37454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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