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5-(2-sulfanylethoxy)benzene-1,3-dicarboxylic acid

5-(2-sulfanylethoxy)benzene-1,3-dicarboxylic acid

Systemtic Name:5-(2-sulfanylethoxy)benzene-1,3-dicarboxylic acid
Openeye Name:5-(2-sulfanylethoxy)benzene-1,3-dicarboxylic acid
CAS Name:5-(2-mercaptoethoxy)benzene-1,3-dicarboxylic acid
IUPAC Name:5-(2-sulfanylethoxy)benzene-1,3-dicarboxylic acid
Traditional Name:5-(2-mercaptoethoxy)isophthalic acid
Formula: C10H10O5S
MolecularWeight: 242.2484
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)OCCS)C(=O)O


Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)OCCS)C(=O)O


InChI

InChI=1S/C10H10O5S/c11-9(12)6-3-7(10(13)14)5-8(4-6)15-1-2-16/h3-5,16H,1-2H2,(H,11,12)(H,13,14)


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