3-(3-chloranyl-4-methyl-phenyl)-3-oxidanyl-propanethioic S-acid

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-3-oxidanyl-propanethioic S-acid Openeye Name: 3-(3-chloro-4-methyl-phenyl)-3-hydroxy-propanethioic S-acid CAS Name: 3-(3-chloro-4-methylphenyl)-3-hydroxypropanethioic S-acid IUPAC Name: 3-(3-chloro-4-methylphenyl)-3-hydroxypropanethioic S-acid Traditional Name: 3-(3-chloro-4-methyl-phenyl)-3-hydroxy-thiopropionic acid Formula: C10H11ClO2S MolecularWeight: 230.71114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CC(=O)S)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(CC(=O)S)O)Cl

InChI

InChI=1S/C10H11ClO2S/c1-6-2-3-7(4-8(6)11)9(12)5-10(13)14/h2-4,9,12H,5H2,1H3,(H,13,14)