1,2,2-tris(3,5-ditert-butyl-4-oxidanyl-phenyl)ethyl propanoate

Systemtic Name: 1,2,2-tris(3,5-ditert-butyl-4-oxidanyl-phenyl)ethyl propanoate Openeye Name: 1,2,2-tris(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl propanoate CAS Name: propanoic acid 1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl ester IUPAC Name: 1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl propanoate Traditional Name: propionic acid 1,2,2-tris(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl ester Formula: C47H70O5 MolecularWeight: 715.0557

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCC(=O)OC(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C47H70O5/c1-20-36(48)52-41(29-25-34(46(14,15)16)40(51)35(26-29)47(17,18)19)37(27-21-30(42(2,3)4)38(49)31(22-27)43(5,6)7)28-23-32(44(8,9)10)39(50)33(24-28)45(11,12)13/h21-26,37,41,49-51H,20H2,1-19H3