S-hex-2-ynyl 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate

Systemtic Name: S-hex-2-ynyl 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate Openeye Name: S-hex-2-ynyl 3,5-ditert-butyl-4-hydroxy-benzenecarbothioate CAS Name: 3,5-ditert-butyl-4-hydroxybenzenecarbothioic acid S-hex-2-ynyl ester IUPAC Name: S-hex-2-ynyl 3,5-ditert-butyl-4-hydroxybenzenecarbothioate Traditional Name: 3,5-ditert-butyl-4-hydroxy-thiobenzoic acid S-hex-2-ynyl ester Formula: C21H30O2S MolecularWeight: 346.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCSC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCC#CCSC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C21H30O2S/c1-8-9-10-11-12-24-19(23)15-13-16(20(2,3)4)18(22)17(14-15)21(5,6)7/h13-14,22H,8-9,12H2,1-7H3