1,4-bis(4-tert-butylphenyl)-2,3-bis[(4-tert-butylphenyl)carbonyl]but-2-ene-1,4-dione

Systemtic Name: 1,4-bis(4-tert-butylphenyl)-2,3-bis[(4-tert-butylphenyl)carbonyl]but-2-ene-1,4-dione Openeye Name: 2,3-bis(4-tert-butylbenzoyl)-1,4-bis(4-tert-butylphenyl)but-2-ene-1,4-dione CAS Name: 1,4-bis(4-tert-butylphenyl)-2,3-bis[(4-tert-butylphenyl)-oxomethyl]-2-butene-1,4-dione IUPAC Name: 2,3-bis(4-tert-butylbenzoyl)-1,4-bis(4-tert-butylphenyl)but-2-ene-1,4-dione Traditional Name: 2,3-bis(4-tert-butylbenzoyl)-1,4-bis(4-tert-butylphenyl)but-2-ene-1,4-dione Formula: C46H52O4 MolecularWeight: 668.90268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=C(C(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=C(C(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C46H52O4/c1-43(2,3)33-21-13-29(14-22-33)39(47)37(40(48)30-15-23-34(24-16-30)44(4,5)6)38(41(49)31-17-25-35(26-18-31)45(7,8)9)42(50)32-19-27-36(28-20-32)46(10,11)12/h13-28H,1-12H3