S-[(4-chloranyl-3-fluoranyl-phenyl)methyl] 3,5-bis(2-methylbutan-2-yl)-4-oxidanyl-benzenecarbothioate

Systemtic Name: S-[(4-chloranyl-3-fluoranyl-phenyl)methyl] 3,5-bis(2-methylbutan-2-yl)-4-oxidanyl-benzenecarbothioate Openeye Name: S-[(4-chloro-3-fluoro-phenyl)methyl] 3,5-bis(1,1-dimethylpropyl)-4-hydroxy-benzenecarbothioate CAS Name: 4-hydroxy-3,5-bis(2-methylbutan-2-yl)benzenecarbothioic acid S-[(4-chloro-3-fluorophenyl)methyl] ester IUPAC Name: S-[(4-chloro-3-fluorophenyl)methyl] 4-hydroxy-3,5-bis(2-methylbutan-2-yl)benzenecarbothioate Traditional Name: 3,5-ditert-amyl-4-hydroxy-thiobenzoic acid S-(4-chloro-3-fluoro-benzyl) ester Formula: C24H30ClFO2S MolecularWeight: 437.010203

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CC)C(=O)SCC2=CC(=C(C=C2)Cl)F

Isomeric SMILES

CCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CC)C(=O)SCC2=CC(=C(C=C2)Cl)F

InChI

InChI=1S/C24H30ClFO2S/c1-7-23(3,4)17-12-16(13-18(21(17)27)24(5,6)8-2)22(28)29-14-15-9-10-19(25)20(26)11-15/h9-13,27H,7-8,14H2,1-6H3