4-ethylsulfanyl-4-(3-hydroxyphenyl)-3-methyl-butanoate

Systemtic Name: 4-ethylsulfanyl-4-(3-hydroxyphenyl)-3-methyl-butanoate Openeye Name: 4-ethylsulfanyl-4-(3-hydroxyphenyl)-3-methyl-butanoate CAS Name: 4-(ethylthio)-4-(3-hydroxyphenyl)-3-methylbutanoate IUPAC Name: 4-ethylsulfanyl-4-(3-hydroxyphenyl)-3-methylbutanoate Traditional Name: 4-(ethylthio)-4-(3-hydroxyphenyl)-3-methyl-butyrate Formula: C13H17O3S- MolecularWeight: 253.33728

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1=CC(=CC=C1)O)C(C)CC(=O)[O-]

Isomeric SMILES

CCSC(C1=CC(=CC=C1)O)C(C)CC(=O)[O-]

InChI

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