methyl 2-(3,5-ditert-butylphenyl)sulfanylpropanoate

Systemtic Name: methyl 2-(3,5-ditert-butylphenyl)sulfanylpropanoate Openeye Name: methyl 2-(3,5-ditert-butylphenyl)sulfanylpropanoate CAS Name: 2-[(3,5-ditert-butylphenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-(3,5-ditert-butylphenyl)sulfanylpropanoate Traditional Name: 2-[(3,5-ditert-butylphenyl)thio]propionic acid methyl ester Formula: C18H28O2S MolecularWeight: 308.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C(=O)OC)SC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C18H28O2S/c1-12(16(19)20-8)21-15-10-13(17(2,3)4)9-14(11-15)18(5,6)7/h9-12H,1-8H3