thian-4-yl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: thian-4-yl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: tetrahydrothiopyran-4-yl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid 4-thianyl ester IUPAC Name: thian-4-yl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid tetrahydrothiopyran-4-yl ester Formula: C22H34O3S MolecularWeight: 378.56856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OC2CCSCC2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OC2CCSCC2

InChI

InChI=1S/C22H34O3S/c1-21(2,3)17-13-15(14-18(20(17)24)22(4,5)6)7-8-19(23)25-16-9-11-26-12-10-16/h13-14,16,24H,7-12H2,1-6H3