4-(4-chlorophenyl)-2-methyl-4-oxidanylidene-butanethioic S-acid

Systemtic Name: 4-(4-chlorophenyl)-2-methyl-4-oxidanylidene-butanethioic S-acid Openeye Name: 4-(4-chlorophenyl)-2-methyl-4-oxo-butanethioic S-acid CAS Name: 4-(4-chlorophenyl)-2-methyl-4-oxobutanethioic S-acid IUPAC Name: 4-(4-chlorophenyl)-2-methyl-4-oxobutanethioic S-acid Traditional Name: 4-(4-chlorophenyl)-4-keto-2-methyl-thiobutyric acid Formula: C11H11ClO2S MolecularWeight: 242.72184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11ClO2S/c1-7(11(14)15)6-10(13)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,14,15)