6-(4-methylsulfanylphenyl)hexyl 2,2-dimethylpropanoate

Systemtic Name: 6-(4-methylsulfanylphenyl)hexyl 2,2-dimethylpropanoate Openeye Name: 6-(4-methylsulfanylphenyl)hexyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 6-[4-(methylthio)phenyl]hexyl ester IUPAC Name: 6-(4-methylsulfanylphenyl)hexyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 6-[4-(methylthio)phenyl]hexyl ester Formula: C18H28O2S MolecularWeight: 308.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCCCCCC1=CC=C(C=C1)SC

Isomeric SMILES

CC(C)(C)C(=O)OCCCCCCC1=CC=C(C=C1)SC

InChI

InChI=1S/C18H28O2S/c1-18(2,3)17(19)20-14-8-6-5-7-9-15-10-12-16(21-4)13-11-15/h10-13H,5-9,14H2,1-4H3