2-azanylethanethiol; 2-(4-chloranylphenoxy)-2-methyl-propanoic acid

Systemtic Name: 2-azanylethanethiol; 2-(4-chloranylphenoxy)-2-methyl-propanoic acid Openeye Name: 2-aminoethanethiol; 2-(4-chlorophenoxy)-2-methyl-propanoic acid CAS Name: 2-aminoethanethiol; 2-(4-chlorophenoxy)-2-methylpropanoic acid IUPAC Name: 2-aminoethanethiol; 2-(4-chlorophenoxy)-2-methylpropanoic acid Traditional Name: 2-aminoethanethiol; 2-(4-chlorophenoxy)-2-methyl-propionic acid Formula: C12H18ClNO3S MolecularWeight: 291.79422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11ClO3.C2H7NS/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;3-1-2-4/h3-6H,1-2H3,(H,12,13);4H,1-3H2