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2-[4-(carboxymethyl)phenoxy]-5-sulfanyl-pentanoic acid

2-[4-(carboxymethyl)phenoxy]-5-sulfanyl-pentanoic acid

Systemtic Name:2-[4-(carboxymethyl)phenoxy]-5-sulfanyl-pentanoic acid
Openeye Name:2-[4-(carboxymethyl)phenoxy]-5-sulfanyl-pentanoic acid
CAS Name:2-[4-(carboxymethyl)phenoxy]-5-mercaptopentanoic acid
IUPAC Name:2-[4-(carboxymethyl)phenoxy]-5-sulfanylpentanoic acid
Traditional Name:2-[4-(carboxymethyl)phenoxy]-5-mercapto-valeric acid
Formula: C13H16O5S
MolecularWeight: 284.32814
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)OC(CCCS)C(=O)O


Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)OC(CCCS)C(=O)O


InChI

InChI=1S/C13H16O5S/c14-12(15)8-9-3-5-10(6-4-9)18-11(13(16)17)2-1-7-19/h3-6,11,19H,1-2,7-8H2,(H,14,15)(H,16,17)


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