2-[6,8-bis(5-tert-butyl-2-oxidanyl-phenyl)pyren-1-yl]-4-tert-butyl-phenol

Systemtic Name: 2-[6,8-bis(5-tert-butyl-2-oxidanyl-phenyl)pyren-1-yl]-4-tert-butyl-phenol Openeye Name: 2-[6,8-bis(5-tert-butyl-2-hydroxy-phenyl)pyren-1-yl]-4-tert-butyl-phenol CAS Name: 2-[6,8-bis(5-tert-butyl-2-hydroxyphenyl)-1-pyrenyl]-4-tert-butylphenol IUPAC Name: 2-[6,8-bis(5-tert-butyl-2-hydroxyphenyl)pyren-1-yl]-4-tert-butylphenol Traditional Name: 2-[6,8-bis(5-tert-butyl-2-hydroxy-phenyl)pyren-1-yl]-4-tert-butyl-phenol Formula: C46H46O3 MolecularWeight: 646.85564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)O)C2=C3C=CC4=C(C=C(C5=C4C3=C(C=C2)C=C5)C6=C(C=CC(=C6)C(C)(C)C)O)C7=C(C=CC(=C7)C(C)(C)C)O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)O)C2=C3C=CC4=C(C=C(C5=C4C3=C(C=C2)C=C5)C6=C(C=CC(=C6)C(C)(C)C)O)C7=C(C=CC(=C7)C(C)(C)C)O

InChI

InChI=1S/C46H46O3/c1-44(2,3)27-12-19-39(47)36(22-27)30-15-10-26-11-16-32-34(37-23-28(45(4,5)6)13-20-40(37)48)25-35(33-18-17-31(30)42(26)43(32)33)38-24-29(46(7,8)9)14-21-41(38)49/h10-25,47-49H,1-9H3