S-[(4-chloranyl-3-methyl-phenyl)methyl] 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate

Systemtic Name: S-[(4-chloranyl-3-methyl-phenyl)methyl] 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate Openeye Name: S-[(4-chloro-3-methyl-phenyl)methyl] 3,5-ditert-butyl-4-hydroxy-benzenecarbothioate CAS Name: 3,5-ditert-butyl-4-hydroxybenzenecarbothioic acid S-[(4-chloro-3-methylphenyl)methyl] ester IUPAC Name: S-[(4-chloro-3-methylphenyl)methyl] 3,5-ditert-butyl-4-hydroxybenzenecarbothioate Traditional Name: 3,5-ditert-butyl-4-hydroxy-thiobenzoic acid S-(4-chloro-3-methyl-benzyl) ester Formula: C23H29ClO2S MolecularWeight: 404.99316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)CSC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)Cl

InChI

InChI=1S/C23H29ClO2S/c1-14-10-15(8-9-19(14)24)13-27-21(26)16-11-17(22(2,3)4)20(25)18(12-16)23(5,6)7/h8-12,25H,13H2,1-7H3