2-tert-butyloctanethioic S-acid

Systemtic Name: 2-tert-butyloctanethioic S-acid Openeye Name: 2-tert-butyloctanethioic S-acid CAS Name: 2-tert-butyloctanethioic S-acid IUPAC Name: 2-tert-butyloctanethioic S-acid Traditional Name: 2-tert-butylthiocaprylic acid Formula: C12H24OS MolecularWeight: 216.38336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)S)C(C)(C)C

Isomeric SMILES

CCCCCCC(C(=O)S)C(C)(C)C

InChI

InChI=1S/C12H24OS/c1-5-6-7-8-9-10(11(13)14)12(2,3)4/h10H,5-9H2,1-4H3,(H,13,14)