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

Systemtic Name: 4-chloranylbenzenesulfonic acid; ethyl (2S)-2-azanylpropanoate Openeye Name: 4-chlorobenzenesulfonic acid; ethyl (2S)-2-aminopropanoate CAS Name: (2S)-2-aminopropanoic acid ethyl ester; 4-chlorobenzenesulfonic acid IUPAC Name: 4-chlorobenzenesulfonic acid; ethyl (2S)-2-aminopropanoate Traditional Name: (2S)-2-aminopropionic acid ethyl ester; 4-chlorobesylic acid Formula: C11H16ClNO5S MolecularWeight: 309.76644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N.C1=CC(=CC=C1S(=O)(=O)O)Cl

Isomeric SMILES

CCOC(=O)[C@H](C)N.C1=CC(=CC=C1S(=O)(=O)O)Cl

InChI

InChI=1S/C6H5ClO3S.C5H11NO2/c7-5-1-3-6(4-2-5)11(8,9)10;1-3-8-5(7)4(2)6/h1-4H,(H,8,9,10);4H,3,6H2,1-2H3/t;4-/m.0/s1