trimethyl 1,4-benzodithiine-2,3,5-tricarboxylate

Systemtic Name: trimethyl 1,4-benzodithiine-2,3,5-tricarboxylate Openeye Name: trimethyl 1,4-benzodithiine-2,3,5-tricarboxylate CAS Name: 1,4-benzodithiin-2,3,5-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl 1,4-benzodithiine-2,3,5-tricarboxylate Traditional Name: 1,4-benzodithiin-2,3,5-tricarboxylic acid trimethyl ester Formula: C14H12O6S2 MolecularWeight: 340.37148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)SC(=C(S2)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)SC(=C(S2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C14H12O6S2/c1-18-12(15)7-5-4-6-8-9(7)22-11(14(17)20-3)10(21-8)13(16)19-2/h4-6H,1-3H3