2-[2,6-bis(chloranyl)phenyl]sulfanylpropanedioic acid

Systemtic Name: 2-[2,6-bis(chloranyl)phenyl]sulfanylpropanedioic acid Openeye Name: 2-(2,6-dichlorophenyl)sulfanylpropanedioic acid CAS Name: 2-[(2,6-dichlorophenyl)thio]propanedioic acid IUPAC Name: 2-(2,6-dichlorophenyl)sulfanylpropanedioic acid Traditional Name: 2-[(2,6-dichlorophenyl)thio]malonic acid Formula: C9H6Cl2O4S MolecularWeight: 281.11254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)SC(C(=O)O)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)SC(C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C9H6Cl2O4S/c10-4-2-1-3-5(11)6(4)16-7(8(12)13)9(14)15/h1-3,7H,(H,12,13)(H,14,15)