5-chloranyl-4-(2,2-dimethyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2-methoxy-benzoic acid

Systemtic Name: 5-chloranyl-4-(2,2-dimethyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2-methoxy-benzoic acid Openeye Name: 5-chloro-4-(3-hydroxy-2,2-dimethyl-3-oxo-propyl)sulfanyl-2-methoxy-benzoic acid CAS Name: 5-chloro-4-[(3-hydroxy-2,2-dimethyl-3-oxopropyl)thio]-2-methoxybenzoic acid IUPAC Name: 5-chloro-4-(3-hydroxy-2,2-dimethyl-3-oxopropyl)sulfanyl-2-methoxybenzoic acid Traditional Name: 5-chloro-4-[(3-hydroxy-3-keto-2,2-dimethyl-propyl)thio]-2-methoxy-benzoic acid Formula: C13H15ClO5S MolecularWeight: 318.7732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSC1=C(C=C(C(=C1)OC)C(=O)O)Cl)C(=O)O

Isomeric SMILES

CC(C)(CSC1=C(C=C(C(=C1)OC)C(=O)O)Cl)C(=O)O

InChI

InChI=1S/C13H15ClO5S/c1-13(2,12(17)18)6-20-10-5-9(19-3)7(11(15)16)4-8(10)14/h4-5H,6H2,1-3H3,(H,15,16)(H,17,18)