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2-[3-(4-methoxyphenyl)sulfanylpropyl]propanedioic acid

2-[3-(4-methoxyphenyl)sulfanylpropyl]propanedioic acid

Systemtic Name:2-[3-(4-methoxyphenyl)sulfanylpropyl]propanedioic acid
Openeye Name:2-[3-(4-methoxyphenyl)sulfanylpropyl]propanedioic acid
CAS Name:2-[3-[(4-methoxyphenyl)thio]propyl]propanedioic acid
IUPAC Name:2-[3-(4-methoxyphenyl)sulfanylpropyl]propanedioic acid
Traditional Name:2-[3-[(4-methoxyphenyl)thio]propyl]malonic acid
Formula: C13H16O5S
MolecularWeight: 284.32814
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(C(=O)O)C(=O)O


Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(C(=O)O)C(=O)O


InChI

InChI=1S/C13H16O5S/c1-18-9-4-6-10(7-5-9)19-8-2-3-11(12(14)15)13(16)17/h4-7,11H,2-3,8H2,1H3,(H,14,15)(H,16,17)


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