trimethyl 6-(phenylsulfonyl)octa-1,6,7-triene-1,3,3-tricarboxylate

Systemtic Name: trimethyl 6-(phenylsulfonyl)octa-1,6,7-triene-1,3,3-tricarboxylate Openeye Name: trimethyl 6-(benzenesulfonyl)octa-1,6,7-triene-1,3,3-tricarboxylate CAS Name: 6-(benzenesulfonyl)octa-1,6,7-triene-1,3,3-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl 6-(benzenesulfonyl)octa-1,6,7-triene-1,3,3-tricarboxylate Traditional Name: 6-besylocta-1,6,7-triene-1,3,3-tricarboxylic acid trimethyl ester Formula: C20H22O8S MolecularWeight: 422.44888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22O8S/c1-6-15(29(24,25)16-10-8-7-9-11-16)13-20(18(22)27-4,19(23)28-5)12-14(2)17(21)26-3/h7-11H,1-2,12-13H2,3-5H3