methyl 7-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3,5-bis(oxidanyl)heptanoate

Systemtic Name: methyl 7-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3,5-bis(oxidanyl)heptanoate Openeye Name: methyl 7-(3,5-ditert-butyl-4-hydroxy-phenyl)-3,5-dihydroxy-heptanoate CAS Name: 7-(3,5-ditert-butyl-4-hydroxyphenyl)-3,5-dihydroxyheptanoic acid methyl ester IUPAC Name: methyl 7-(3,5-ditert-butyl-4-hydroxyphenyl)-3,5-dihydroxyheptanoate Traditional Name: 7-(3,5-ditert-butyl-4-hydroxy-phenyl)-3,5-dihydroxy-enanthic acid methyl ester Formula: C22H36O5 MolecularWeight: 380.51824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(CC(CC(=O)OC)O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(CC(CC(=O)OC)O)O

InChI

InChI=1S/C22H36O5/c1-21(2,3)17-10-14(11-18(20(17)26)22(4,5)6)8-9-15(23)12-16(24)13-19(25)27-7/h10-11,15-16,23-24,26H,8-9,12-13H2,1-7H3