5-(4-ethylsulfanylphenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-ethylsulfanylphenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-ethylsulfanylphenyl)-5-oxo-pentanoic acid CAS Name: 5-[4-(ethylthio)phenyl]-5-oxopentanoic acid IUPAC Name: 5-(4-ethylsulfanylphenyl)-5-oxopentanoic acid Traditional Name: 5-[4-(ethylthio)phenyl]-5-keto-valeric acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C(=O)CCCC(=O)O

Isomeric SMILES

CCSC1=CC=C(C=C1)C(=O)CCCC(=O)O

InChI

InChI=1S/C13H16O3S/c1-2-17-11-8-6-10(7-9-11)12(14)4-3-5-13(15)16/h6-9H,2-5H2,1H3,(H,15,16)