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

Systemtic Name: 4-oxidanylbutyl 2-(3-methyl-4-oxidanyl-phenyl)sulfanylethanoate Openeye Name: 4-hydroxybutyl 2-(4-hydroxy-3-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-hydroxy-3-methylphenyl)thio]acetic acid 4-hydroxybutyl ester IUPAC Name: 4-hydroxybutyl 2-(4-hydroxy-3-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-hydroxy-3-methyl-phenyl)thio]acetic acid 4-hydroxybutyl ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC(=O)OCCCCO)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCC(=O)OCCCCO)O

InChI

InChI=1S/C13H18O4S/c1-10-8-11(4-5-12(10)15)18-9-13(16)17-7-3-2-6-14/h4-5,8,14-15H,2-3,6-7,9H2,1H3