2-(2-methoxyethoxy)ethyl 6-[4-[2-(4-methylsulfanylphenyl)ethynyl]phenyl]-6-oxidanylidene-hexanoate

Systemtic Name: 2-(2-methoxyethoxy)ethyl 6-[4-[2-(4-methylsulfanylphenyl)ethynyl]phenyl]-6-oxidanylidene-hexanoate Openeye Name: 2-(2-methoxyethoxy)ethyl 6-[4-[2-(4-methylsulfanylphenyl)ethynyl]phenyl]-6-oxo-hexanoate CAS Name: 6-[4-[2-[4-(methylthio)phenyl]ethynyl]phenyl]-6-oxohexanoic acid 2-(2-methoxyethoxy)ethyl ester IUPAC Name: 2-(2-methoxyethoxy)ethyl 6-[4-[2-(4-methylsulfanylphenyl)ethynyl]phenyl]-6-oxohexanoate Traditional Name: 6-keto-6-[4-[2-[4-(methylthio)phenyl]ethynyl]phenyl]hexanoic acid 2-(2-methoxyethoxy)ethyl ester Formula: C26H30O5S MolecularWeight: 454.5784

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCCOC(=O)CCCCC(=O)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)SC

Isomeric SMILES

COCCOCCOC(=O)CCCCC(=O)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)SC

InChI

InChI=1S/C26H30O5S/c1-29-17-18-30-19-20-31-26(28)6-4-3-5-25(27)23-13-9-21(10-14-23)7-8-22-11-15-24(32-2)16-12-22/h9-16H,3-6,17-20H2,1-2H3