5-[2,2-bis(sulfanyl)ethoxycarbonyl]benzene-1,2,4-tricarboxylic acid

Systemtic Name: 5-[2,2-bis(sulfanyl)ethoxycarbonyl]benzene-1,2,4-tricarboxylic acid Openeye Name: 5-[2,2-bis(sulfanyl)ethoxycarbonyl]benzene-1,2,4-tricarboxylic acid CAS Name: 5-[2,2-dimercaptoethoxy(oxo)methyl]benzene-1,2,4-tricarboxylic acid IUPAC Name: 5-[2,2-bis(sulfanyl)ethoxycarbonyl]benzene-1,2,4-tricarboxylic acid Traditional Name: 5-(2,2-dimercaptoethoxycarbonyl)trimellitic acid Formula: C12H10O8S2 MolecularWeight: 346.333

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1C(=O)O)C(=O)OCC(S)S)C(=O)O)C(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1C(=O)O)C(=O)OCC(S)S)C(=O)O)C(=O)O

InChI

InChI=1S/C12H10O8S2/c13-9(14)4-1-6(11(17)18)7(2-5(4)10(15)16)12(19)20-3-8(21)22/h1-2,8,21-22H,3H2,(H,13,14)(H,15,16)(H,17,18)