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

Systemtic Name: triethyl 4-(2-hydroxyethyloxy)-4-[(E)-4-methoxy-4-oxidanylidene-2-phenylsulfanyl-but-2-enyl]cyclohex-2-ene-1,1,3-tricarboxylate Openeye Name: triethyl 4-(2-hydroxyethoxy)-4-[(E)-4-methoxy-4-oxo-2-phenylsulfanyl-but-2-enyl]cyclohex-2-ene-1,1,3-tricarboxylate CAS Name: 4-(2-hydroxyethoxy)-4-[(E)-4-methoxy-4-oxo-2-(phenylthio)but-2-enyl]cyclohex-2-ene-1,1,3-tricarboxylic acid triethyl ester IUPAC Name: triethyl 4-(2-hydroxyethoxy)-4-[(E)-4-methoxy-4-oxo-2-phenylsulfanylbut-2-enyl]cyclohex-2-ene-1,1,3-tricarboxylate Traditional Name: 4-(2-hydroxyethoxy)-4-[(E)-4-keto-4-methoxy-2-(phenylthio)but-2-enyl]cyclohex-2-ene-1,1,3-tricarboxylic acid triethyl ester Formula: C28H36O10S MolecularWeight: 564.64444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(CCC1(CC(=CC(=O)OC)SC2=CC=CC=C2)OCCO)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(CCC1(C/C(=C\C(=O)OC)/SC2=CC=CC=C2)OCCO)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C28H36O10S/c1-5-35-24(31)22-19-27(25(32)36-6-2,26(33)37-7-3)13-14-28(22,38-16-15-29)18-21(17-23(30)34-4)39-20-11-9-8-10-12-20/h8-12,17,19,29H,5-7,13-16,18H2,1-4H3/b21-17+