O-(2-tert-butyl-5-methyl-4-sulfanyl-phenyl) pentadecanethioate

Systemtic Name: O-(2-tert-butyl-5-methyl-4-sulfanyl-phenyl) pentadecanethioate Openeye Name: O-(2-tert-butyl-5-methyl-4-sulfanyl-phenyl) pentadecanethioate CAS Name: pentadecanethioic acid O-(2-tert-butyl-4-mercapto-5-methylphenyl) ester IUPAC Name: O-(2-tert-butyl-5-methyl-4-sulfanylphenyl) pentadecanethioate Traditional Name: pentadecanethioic acid O-(2-tert-butyl-4-mercapto-5-methyl-phenyl) ester Formula: C26H44OS2 MolecularWeight: 436.75696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=S)OC1=C(C=C(C(=C1)C)S)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCC(=S)OC1=C(C=C(C(=C1)C)S)C(C)(C)C

InChI

InChI=1S/C26H44OS2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)27-23-19-21(2)24(28)20-22(23)26(3,4)5/h19-20,28H,6-18H2,1-5H3