2-(2-hydroxyethylsulfanyl)ethyl 7-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)heptanoate

Systemtic Name: 2-(2-hydroxyethylsulfanyl)ethyl 7-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)heptanoate Openeye Name: 2-(2-hydroxyethylsulfanyl)ethyl 7-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)heptanoate CAS Name: 7-(3-tert-butyl-4-hydroxy-5-methylphenyl)heptanoic acid 2-(2-hydroxyethylthio)ethyl ester IUPAC Name: 2-(2-hydroxyethylsulfanyl)ethyl 7-(3-tert-butyl-4-hydroxy-5-methylphenyl)heptanoate Traditional Name: 7-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)enanthic acid 2-(2-hydroxyethylthio)ethyl ester Formula: C22H36O4S MolecularWeight: 396.58384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CCCCCCC(=O)OCCSCCO)C(C)(C)C)O

Isomeric SMILES

CC1=C(C(=CC(=C1)CCCCCCC(=O)OCCSCCO)C(C)(C)C)O

InChI

InChI=1S/C22H36O4S/c1-17-15-18(16-19(21(17)25)22(2,3)4)9-7-5-6-8-10-20(24)26-12-14-27-13-11-23/h15-16,23,25H,5-14H2,1-4H3