4-ethylsulfanyl-2-(3-hydroxyphenyl)-3-methyl-butanoic acid

Systemtic Name: 4-ethylsulfanyl-2-(3-hydroxyphenyl)-3-methyl-butanoic acid Openeye Name: 4-ethylsulfanyl-2-(3-hydroxyphenyl)-3-methyl-butanoic acid CAS Name: 4-(ethylthio)-2-(3-hydroxyphenyl)-3-methylbutanoic acid IUPAC Name: 4-ethylsulfanyl-2-(3-hydroxyphenyl)-3-methylbutanoic acid Traditional Name: 4-(ethylthio)-2-(3-hydroxyphenyl)-3-methyl-butyric acid Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(C)C(C1=CC(=CC=C1)O)C(=O)O

Isomeric SMILES

CCSCC(C)C(C1=CC(=CC=C1)O)C(=O)O

InChI

InChI=1S/C13H18O3S/c1-3-17-8-9(2)12(13(15)16)10-5-4-6-11(14)7-10/h4-7,9,12,14H,3,8H2,1-2H3,(H,15,16)