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

Systemtic Name: triethyl 2-[(E)-4-methoxy-4-oxidanylidene-2-phenylsulfanyl-but-2-enyl]-4-oxidanylidene-cyclohexane-1,1,3-tricarboxylate Openeye Name: triethyl 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 triethyl ester IUPAC Name: triethyl 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 triethyl ester Formula: C26H32O9S MolecularWeight: 520.59188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(CCC1=O)(C(=O)OCC)C(=O)OCC)CC(=CC(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1C(C(CCC1=O)(C(=O)OCC)C(=O)OCC)C/C(=C\C(=O)OC)/SC2=CC=CC=C2

InChI

InChI=1S/C26H32O9S/c1-5-33-23(29)22-19(15-18(16-21(28)32-4)36-17-11-9-8-10-12-17)26(14-13-20(22)27,24(30)34-6-2)25(31)35-7-3/h8-12,16,19,22H,5-7,13-15H2,1-4H3/b18-16+