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5-(sulfanylmethyl)benzene-1,3-dicarboxylic acid

5-(sulfanylmethyl)benzene-1,3-dicarboxylic acid

Systemtic Name:5-(sulfanylmethyl)benzene-1,3-dicarboxylic acid
Openeye Name:5-(sulfanylmethyl)benzene-1,3-dicarboxylic acid
CAS Name:5-(mercaptomethyl)benzene-1,3-dicarboxylic acid
IUPAC Name:5-(sulfanylmethyl)benzene-1,3-dicarboxylic acid
Traditional Name:5-(mercaptomethyl)isophthalic acid
Formula: C9H8O4S
MolecularWeight: 212.22242
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)C(=O)O)CS


Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)C(=O)O)CS


InChI

InChI=1S/C9H8O4S/c10-8(11)6-1-5(4-14)2-7(3-6)9(12)13/h1-3,14H,4H2,(H,10,11)(H,12,13)


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