4-chloranyl-3-oxidanyl-3-phenyl-butanethioic S-acid

Systemtic Name: 4-chloranyl-3-oxidanyl-3-phenyl-butanethioic S-acid Openeye Name: 4-chloro-3-hydroxy-3-phenyl-butanethioic S-acid CAS Name: 4-chloro-3-hydroxy-3-phenylbutanethioic S-acid IUPAC Name: 4-chloro-3-hydroxy-3-phenylbutanethioic S-acid Traditional Name: 4-chloro-3-hydroxy-3-phenyl-thiobutyric acid Formula: C10H11ClO2S MolecularWeight: 230.71114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11ClO2S/c11-7-10(13,6-9(12)14)8-4-2-1-3-5-8/h1-5,13H,6-7H2,(H,12,14)