4-oxidanylbutyl 2-(3-chloranyl-4-oxidanyl-phenyl)sulfanylethanoate

Systemtic Name: 4-oxidanylbutyl 2-(3-chloranyl-4-oxidanyl-phenyl)sulfanylethanoate Openeye Name: 4-hydroxybutyl 2-(3-chloro-4-hydroxy-phenyl)sulfanylacetate CAS Name: 2-[(3-chloro-4-hydroxyphenyl)thio]acetic acid 4-hydroxybutyl ester IUPAC Name: 4-hydroxybutyl 2-(3-chloro-4-hydroxyphenyl)sulfanylacetate Traditional Name: 2-[(3-chloro-4-hydroxy-phenyl)thio]acetic acid 4-hydroxybutyl ester Formula: C12H15ClO4S MolecularWeight: 290.7631

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCC(=O)OCCCCO)Cl)O

Isomeric SMILES

C1=CC(=C(C=C1SCC(=O)OCCCCO)Cl)O

InChI

InChI=1S/C12H15ClO4S/c13-10-7-9(3-4-11(10)15)18-8-12(16)17-6-2-1-5-14/h3-4,7,14-15H,1-2,5-6,8H2