4-(2-carboxy-5-sulfanyl-pentyl)phthalic acid

Systemtic Name: 4-(2-carboxy-5-sulfanyl-pentyl)phthalic acid Openeye Name: 4-(2-carboxy-5-sulfanyl-pentyl)phthalic acid CAS Name: 4-(2-carboxy-5-mercaptopentyl)phthalic acid IUPAC Name: 4-(2-carboxy-5-sulfanylpentyl)phthalic acid Traditional Name: 4-(2-carboxy-5-mercapto-pentyl)phthalic acid Formula: C14H16O6S MolecularWeight: 312.33824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(CCCS)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1CC(CCCS)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C14H16O6S/c15-12(16)9(2-1-5-21)6-8-3-4-10(13(17)18)11(7-8)14(19)20/h3-4,7,9,21H,1-2,5-6H2,(H,15,16)(H,17,18)(H,19,20)