5-(2-ethylsulfanylphenyl)-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(2-ethylsulfanylphenyl)-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-ethylsulfanylphenyl)-3-methyl-5-oxo-pentanoic acid CAS Name: 5-[2-(ethylthio)phenyl]-3-methyl-5-oxopentanoic acid IUPAC Name: 5-(2-ethylsulfanylphenyl)-3-methyl-5-oxopentanoic acid Traditional Name: 5-[2-(ethylthio)phenyl]-5-keto-3-methyl-valeric acid Formula: C14H18O3S MolecularWeight: 266.35592

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)CC(C)CC(=O)O

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)CC(C)CC(=O)O

InChI

InChI=1S/C14H18O3S/c1-3-18-13-7-5-4-6-11(13)12(15)8-10(2)9-14(16)17/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)