4-oxidanylbutyl 3-(4-hydroxyphenyl)sulfanylpropanoate

Systemtic Name: 4-oxidanylbutyl 3-(4-hydroxyphenyl)sulfanylpropanoate Openeye Name: 4-hydroxybutyl 3-(4-hydroxyphenyl)sulfanylpropanoate CAS Name: 3-[(4-hydroxyphenyl)thio]propanoic acid 4-hydroxybutyl ester IUPAC Name: 4-hydroxybutyl 3-(4-hydroxyphenyl)sulfanylpropanoate Traditional Name: 3-[(4-hydroxyphenyl)thio]propionic acid 4-hydroxybutyl ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1O)SCCC(=O)OCCCCO

Isomeric SMILES

C1=CC(=CC=C1O)SCCC(=O)OCCCCO

InChI

InChI=1S/C13H18O4S/c14-8-1-2-9-17-13(16)7-10-18-12-5-3-11(15)4-6-12/h3-6,14-15H,1-2,7-10H2