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3-cyclopentyl-2-(3-methyl-4-methylsulfanyl-phenyl)propanoic acid

3-cyclopentyl-2-(3-methyl-4-methylsulfanyl-phenyl)propanoic acid

Systemtic Name:3-cyclopentyl-2-(3-methyl-4-methylsulfanyl-phenyl)propanoic acid
Openeye Name:3-cyclopentyl-2-(3-methyl-4-methylsulfanyl-phenyl)propanoic acid
CAS Name:3-cyclopentyl-2-[3-methyl-4-(methylthio)phenyl]propanoic acid
IUPAC Name:3-cyclopentyl-2-(3-methyl-4-methylsulfanylphenyl)propanoic acid
Traditional Name:3-cyclopentyl-2-[3-methyl-4-(methylthio)phenyl]propionic acid
Formula: C16H22O2S
MolecularWeight: 278.40968
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(CC2CCCC2)C(=O)O)SC


Isomeric SMILES

CC1=C(C=CC(=C1)C(CC2CCCC2)C(=O)O)SC


InChI

InChI=1S/C16H22O2S/c1-11-9-13(7-8-15(11)19-2)14(16(17)18)10-12-5-3-4-6-12/h7-9,12,14H,3-6,10H2,1-2H3,(H,17,18)


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