methyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpropanoate

Systemtic Name: methyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpropanoate Openeye Name: methyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylpropanoate CAS Name: 3-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropanoate Traditional Name: 3-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]propionic acid methyl ester Formula: C18H28O3S MolecularWeight: 324.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCC(=O)OC

InChI

InChI=1S/C18H28O3S/c1-17(2,3)13-10-12(22-9-8-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3