5-(2-carboxy-5-sulfanyl-pentyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(2-carboxy-5-sulfanyl-pentyl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(2-carboxy-5-sulfanyl-pentyl)benzene-1,3-dicarboxylic acid CAS Name: 5-(2-carboxy-5-mercaptopentyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(2-carboxy-5-sulfanylpentyl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(2-carboxy-5-mercapto-pentyl)isophthalic acid Formula: C14H16O6S MolecularWeight: 312.33824

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)C(=O)O)CC(CCCS)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)C(=O)O)CC(CCCS)C(=O)O

InChI

InChI=1S/C14H16O6S/c15-12(16)9(2-1-3-21)4-8-5-10(13(17)18)7-11(6-8)14(19)20/h5-7,9,21H,1-4H2,(H,15,16)(H,17,18)(H,19,20)