tert-butyl 4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,2-dioxetane-3-carboxylate

Systemtic Name: tert-butyl 4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,2-dioxetane-3-carboxylate Openeye Name: tert-butyl 4-(3,5-ditert-butyl-4-hydroxy-phenyl)dioxetane-3-carboxylate CAS Name: 4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-dioxetanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3,5-ditert-butyl-4-hydroxyphenyl)dioxetane-3-carboxylate Traditional Name: 4-(3,5-ditert-butyl-4-hydroxy-phenyl)dioxetane-3-carboxylic acid tert-butyl ester Formula: C21H32O5 MolecularWeight: 364.47578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C(OO2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C(OO2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H32O5/c1-19(2,3)13-10-12(11-14(15(13)22)20(4,5)6)16-17(26-25-16)18(23)24-21(7,8)9/h10-11,16-17,22H,1-9H3