2-azanyl-3-sulfanyl-propanoic acid; 2-(4-chloranylphenoxy)-2-methyl-propanoic acid

Systemtic Name: 2-azanyl-3-sulfanyl-propanoic acid; 2-(4-chloranylphenoxy)-2-methyl-propanoic acid Openeye Name: 2-amino-3-sulfanyl-propanoic acid; 2-(4-chlorophenoxy)-2-methyl-propanoic acid CAS Name: 2-amino-3-mercaptopropanoic acid; 2-(4-chlorophenoxy)-2-methylpropanoic acid IUPAC Name: 2-amino-3-sulfanylpropanoic acid; 2-(4-chlorophenoxy)-2-methylpropanoic acid Traditional Name: 2-amino-3-mercapto-propionic acid; 2-(4-chlorophenoxy)-2-methyl-propionic acid Formula: C13H18ClNO5S MolecularWeight: 335.80372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl.C(C(C(=O)O)N)S

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl.C(C(C(=O)O)N)S

InChI

InChI=1S/C10H11ClO3.C3H7NO2S/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;4-2(1-7)3(5)6/h3-6H,1-2H3,(H,12,13);2,7H,1,4H2,(H,5,6)