S-[4-[2-(3-tert-butyl-5-methanoyl-4-oxidanyl-phenyl)ethynyl]phenyl] ethanethioate

Systemtic Name: S-[4-[2-(3-tert-butyl-5-methanoyl-4-oxidanyl-phenyl)ethynyl]phenyl] ethanethioate Openeye Name: S-[4-[2-(3-tert-butyl-5-formyl-4-hydroxy-phenyl)ethynyl]phenyl] ethanethioate CAS Name: ethanethioic acid S-[4-[2-(3-tert-butyl-5-formyl-4-hydroxyphenyl)ethynyl]phenyl] ester IUPAC Name: S-[4-[2-(3-tert-butyl-5-formyl-4-hydroxyphenyl)ethynyl]phenyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[2-(3-tert-butyl-5-formyl-4-hydroxy-phenyl)ethynyl]phenyl] ester Formula: C21H20O3S MolecularWeight: 352.4467

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC=C(C=C1)C#CC2=CC(=C(C(=C2)C(C)(C)C)O)C=O

Isomeric SMILES

CC(=O)SC1=CC=C(C=C1)C#CC2=CC(=C(C(=C2)C(C)(C)C)O)C=O

InChI

InChI=1S/C21H20O3S/c1-14(23)25-18-9-7-15(8-10-18)5-6-16-11-17(13-22)20(24)19(12-16)21(2,3)4/h7-13,24H,1-4H3