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

Systemtic Name: triethyl 2-[(E)-4-chloranyl-4-oxidanylidene-2-phenylsulfanyl-but-2-enyl]-4-oxidanylidene-cyclohexane-1,1,3-tricarboxylate Openeye Name: triethyl 2-[(E)-4-chloro-4-oxo-2-phenylsulfanyl-but-2-enyl]-4-oxo-cyclohexane-1,1,3-tricarboxylate CAS Name: 2-[(E)-4-chloro-4-oxo-2-(phenylthio)but-2-enyl]-4-oxocyclohexane-1,1,3-tricarboxylic acid triethyl ester IUPAC Name: triethyl 2-[(E)-4-chloro-4-oxo-2-phenylsulfanylbut-2-enyl]-4-oxocyclohexane-1,1,3-tricarboxylate Traditional Name: 2-[(E)-4-chloro-4-keto-2-(phenylthio)but-2-enyl]-4-keto-cyclohexane-1,1,3-tricarboxylic acid triethyl ester Formula: C25H29ClO8S MolecularWeight: 525.01096

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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)Cl)SC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClO8S/c1-4-32-22(29)21-18(14-17(15-20(26)28)35-16-10-8-7-9-11-16)25(13-12-19(21)27,23(30)33-5-2)24(31)34-6-3/h7-11,15,18,21H,4-6,12-14H2,1-3H3/b17-15+