chloranylbenzene; 2-methyl-2-sulfanyl-propanoic acid

Systemtic Name: chloranylbenzene; 2-methyl-2-sulfanyl-propanoic acid Openeye Name: chlorobenzene; 2-methyl-2-sulfanyl-propanoic acid CAS Name: chlorobenzene; 2-mercapto-2-methylpropanoic acid IUPAC Name: chlorobenzene; 2-methyl-2-sulfanylpropanoic acid Traditional Name: chlorobenzene; 2-mercapto-2-methyl-propionic acid Formula: C10H13ClO2S MolecularWeight: 232.72702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5Cl.C4H8O2S/c7-6-4-2-1-3-5-6;1-4(2,7)3(5)6/h1-5H;7H,1-2H3,(H,5,6)