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3-[(2R)-2-carboxy-5-methylsulfanyl-pentyl]benzoic acid

3-[(2R)-2-carboxy-5-methylsulfanyl-pentyl]benzoic acid

Systemtic Name:3-[(2R)-2-carboxy-5-methylsulfanyl-pentyl]benzoic acid
Openeye Name:3-[(2R)-2-carboxy-5-methylsulfanyl-pentyl]benzoic acid
CAS Name:3-[(2R)-2-carboxy-5-(methylthio)pentyl]benzoic acid
IUPAC Name:3-[(2R)-2-carboxy-5-methylsulfanylpentyl]benzoic acid
Traditional Name:3-[(2R)-2-carboxy-5-(methylthio)pentyl]benzoic acid
Formula: C14H18O4S
MolecularWeight: 282.35532
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Descriptors Computed from Structure

Canonical SMILES:

CSCCCC(CC1=CC=CC(=C1)C(=O)O)C(=O)O


Isomeric SMILES

CSCCC[C@H](CC1=CC=CC(=C1)C(=O)O)C(=O)O


InChI

InChI=1S/C14H18O4S/c1-19-7-3-6-12(14(17)18)9-10-4-2-5-11(8-10)13(15)16/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,15,16)(H,17,18)/t12-/m1/s1


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