trimethyl 2-sulfanylbenzene-1,3,5-tricarboxylate

Systemtic Name: trimethyl 2-sulfanylbenzene-1,3,5-tricarboxylate Openeye Name: trimethyl 2-sulfanylbenzene-1,3,5-tricarboxylate CAS Name: 2-mercaptobenzene-1,3,5-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl 2-sulfanylbenzene-1,3,5-tricarboxylate Traditional Name: 2-mercaptobenzene-1,3,5-tricarboxylic acid trimethyl ester Formula: C12H12O6S MolecularWeight: 284.28508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)C(=O)OC)S)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)C(=O)OC)S)C(=O)OC

InChI

InChI=1S/C12H12O6S/c1-16-10(13)6-4-7(11(14)17-2)9(19)8(5-6)12(15)18-3/h4-5,19H,1-3H3