S-(2H-pyran-6-ylmethyl) 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate

Systemtic Name: S-(2H-pyran-6-ylmethyl) 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate Openeye Name: S-(2H-pyran-6-ylmethyl) 3,5-ditert-butyl-4-hydroxy-benzenecarbothioate CAS Name: 3,5-ditert-butyl-4-hydroxybenzenecarbothioic acid S-(2H-pyran-6-ylmethyl) ester IUPAC Name: S-(2H-pyran-6-ylmethyl) 3,5-ditert-butyl-4-hydroxybenzenecarbothioate Traditional Name: 3,5-ditert-butyl-4-hydroxy-thiobenzoic acid S-(2H-pyran-6-ylmethyl) ester Formula: C21H28O3S MolecularWeight: 360.51022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SCC2=CC=CCO2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SCC2=CC=CCO2

InChI

InChI=1S/C21H28O3S/c1-20(2,3)16-11-14(12-17(18(16)22)21(4,5)6)19(23)25-13-15-9-7-8-10-24-15/h7-9,11-12,22H,10,13H2,1-6H3