4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]thiane-4-carboxylate

Systemtic Name: 4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]thiane-4-carboxylate Openeye Name: 4-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]tetrahydrothiopyran-4-carboxylate CAS Name: 4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-thianecarboxylate IUPAC Name: 4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]thiane-4-carboxylate Traditional Name: 4-(3,5-ditert-butyl-4-hydroxy-benzyl)tetrahydrothiopyran-4-carboxylate Formula: C21H31O3S- MolecularWeight: 363.53404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2(CCSCC2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2(CCSCC2)C(=O)[O-]

InChI

InChI=1S/C21H32O3S/c1-19(2,3)15-11-14(12-16(17(15)22)20(4,5)6)13-21(18(23)24)7-9-25-10-8-21/h11-12,22H,7-10,13H2,1-6H3,(H,23,24)/p-1