trimethyl 2-[(E)-4-methoxy-4-oxidanylidene-2-phenylsulfanyl-but-2-enyl]-4-oxidanylidene-cyclohexane-1,1,3-tricarboxylate

Systemtic Name: trimethyl 2-[(E)-4-methoxy-4-oxidanylidene-2-phenylsulfanyl-but-2-enyl]-4-oxidanylidene-cyclohexane-1,1,3-tricarboxylate Openeye Name: trimethyl 2-[(E)-4-methoxy-4-oxo-2-phenylsulfanyl-but-2-enyl]-4-oxo-cyclohexane-1,1,3-tricarboxylate CAS Name: 2-[(E)-4-methoxy-4-oxo-2-(phenylthio)but-2-enyl]-4-oxocyclohexane-1,1,3-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl 2-[(E)-4-methoxy-4-oxo-2-phenylsulfanylbut-2-enyl]-4-oxocyclohexane-1,1,3-tricarboxylate Traditional Name: 4-keto-2-[(E)-4-keto-4-methoxy-2-(phenylthio)but-2-enyl]cyclohexane-1,1,3-tricarboxylic acid trimethyl ester Formula: C23H26O9S MolecularWeight: 478.51214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(CC1C(C(=O)CCC1(C(=O)OC)C(=O)OC)C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)/C=C(\CC1C(C(=O)CCC1(C(=O)OC)C(=O)OC)C(=O)OC)/SC2=CC=CC=C2

InChI

InChI=1S/C23H26O9S/c1-29-18(25)13-15(33-14-8-6-5-7-9-14)12-16-19(20(26)30-2)17(24)10-11-23(16,21(27)31-3)22(28)32-4/h5-9,13,16,19H,10-12H2,1-4H3/b15-13+