1,5-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)pentan-3-yl benzoate

Systemtic Name: 1,5-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)pentan-3-yl benzoate Openeye Name: [3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]propyl] benzoate CAS Name: benzoic acid 1,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)pentan-3-yl ester IUPAC Name: 1,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)pentan-3-yl benzoate Traditional Name: benzoic acid [3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]propyl] ester Formula: C40H56O4 MolecularWeight: 600.87024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C40H56O4/c1-37(2,3)30-22-26(23-31(34(30)41)38(4,5)6)18-20-29(44-36(43)28-16-14-13-15-17-28)21-19-27-24-32(39(7,8)9)35(42)33(25-27)40(10,11)12/h13-17,22-25,29,41-42H,18-21H2,1-12H3