4-tert-butyl-2-ethyl-benzenecarbothioic S-acid

Systemtic Name: 4-tert-butyl-2-ethyl-benzenecarbothioic S-acid Openeye Name: 4-tert-butyl-2-ethyl-benzenecarbothioic S-acid CAS Name: 4-tert-butyl-2-ethylbenzenecarbothioic S-acid IUPAC Name: 4-tert-butyl-2-ethylbenzenecarbothioic S-acid Traditional Name: 4-tert-butyl-2-ethyl-thiobenzoic acid Formula: C13H18OS MolecularWeight: 222.34642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(C)(C)C)C(=O)S

Isomeric SMILES

CCC1=C(C=CC(=C1)C(C)(C)C)C(=O)S

InChI

InChI=1S/C13H18OS/c1-5-9-8-10(13(2,3)4)6-7-11(9)12(14)15/h6-8H,5H2,1-4H3,(H,14,15)