2-(4-chloranyl-2-methyl-phenoxy)butanethioic S-acid

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)butanethioic S-acid Openeye Name: 2-(4-chloro-2-methyl-phenoxy)butanethioic S-acid CAS Name: 2-(4-chloro-2-methylphenoxy)butanethioic S-acid IUPAC Name: 2-(4-chloro-2-methylphenoxy)butanethioic S-acid Traditional Name: 2-(4-chloro-2-methyl-phenoxy)thiobutyric acid Formula: C11H13ClO2S MolecularWeight: 244.73772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)S)OC1=C(C=C(C=C1)Cl)C

Isomeric SMILES

CCC(C(=O)S)OC1=C(C=C(C=C1)Cl)C

InChI

InChI=1S/C11H13ClO2S/c1-3-9(11(13)15)14-10-5-4-8(12)6-7(10)2/h4-6,9H,3H2,1-2H3,(H,13,15)