methyl 2-(5-butyl-2-oxidanyl-phenyl)sulfanylethanoate

Systemtic Name: methyl 2-(5-butyl-2-oxidanyl-phenyl)sulfanylethanoate Openeye Name: methyl 2-(5-butyl-2-hydroxy-phenyl)sulfanylacetate CAS Name: 2-[(5-butyl-2-hydroxyphenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(5-butyl-2-hydroxyphenyl)sulfanylacetate Traditional Name: 2-[(5-butyl-2-hydroxy-phenyl)thio]acetic acid methyl ester Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)O)SCC(=O)OC

Isomeric SMILES

CCCCC1=CC(=C(C=C1)O)SCC(=O)OC

InChI

InChI=1S/C13H18O3S/c1-3-4-5-10-6-7-11(14)12(8-10)17-9-13(15)16-2/h6-8,14H,3-5,9H2,1-2H3