2-(2,6-dimethylphenoxy)ethyl 2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]benzoate

Systemtic Name: 2-(2,6-dimethylphenoxy)ethyl 2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]benzoate Openeye Name: 2-(2,6-dimethylphenoxy)ethyl 2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]benzoate CAS Name: 2-[2-(2,6-dimethylphenoxy)ethylthio]benzoic acid 2-(2,6-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,6-dimethylphenoxy)ethyl 2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]benzoate Traditional Name: 2-[2-(2,6-dimethylphenoxy)ethylthio]benzoic acid 2-(2,6-dimethylphenoxy)ethyl ester Formula: C27H30O4S MolecularWeight: 450.5897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCOC(=O)C2=CC=CC=C2SCCOC3=C(C=CC=C3C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCOC(=O)C2=CC=CC=C2SCCOC3=C(C=CC=C3C)C

InChI

InChI=1S/C27H30O4S/c1-19-9-7-10-20(2)25(19)29-15-16-31-27(28)23-13-5-6-14-24(23)32-18-17-30-26-21(3)11-8-12-22(26)4/h5-14H,15-18H2,1-4H3