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

Systemtic Name: 5-(2-sulfanylethyl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(2-sulfanylethyl)benzene-1,3-dicarboxylic acid CAS Name: 5-(2-mercaptoethyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(2-sulfanylethyl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(2-mercaptoethyl)isophthalic acid Formula: C10H10O4S MolecularWeight: 226.249

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)C(=O)O)CCS

Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)C(=O)O)CCS

InChI

InChI=1S/C10H10O4S/c11-9(12)7-3-6(1-2-15)4-8(5-7)10(13)14/h3-5,15H,1-2H2,(H,11,12)(H,13,14)