2-azanyl-3-oxidanyl-propanoic acid; 2,4-dimethylbenzenesulfonic acid

Systemtic Name: 2-azanyl-3-oxidanyl-propanoic acid; 2,4-dimethylbenzenesulfonic acid Openeye Name: 2-amino-3-hydroxy-propanoic acid; 2,4-dimethylbenzenesulfonic acid CAS Name: 2-amino-3-hydroxypropanoic acid; 2,4-dimethylbenzenesulfonic acid IUPAC Name: 2-amino-3-hydroxypropanoic acid; 2,4-dimethylbenzenesulfonic acid Traditional Name: 2-amino-3-hydroxy-propionic acid; 2,4-dimethylbesylic acid Formula: C11H17NO6S MolecularWeight: 291.32078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10O3S.C3H7NO3/c1-6-3-4-8(7(2)5-6)12(9,10)11;4-2(1-5)3(6)7/h3-5H,1-2H3,(H,9,10,11);2,5H,1,4H2,(H,6,7)