2-tert-butyl-4-[1,2,2-tris(3-tert-butyl-4-carboxy-phenyl)ethyl]benzoic acid

Systemtic Name: 2-tert-butyl-4-[1,2,2-tris(3-tert-butyl-4-carboxy-phenyl)ethyl]benzoic acid Openeye Name: 2-tert-butyl-4-[1,2,2-tris(3-tert-butyl-4-carboxy-phenyl)ethyl]benzoic acid CAS Name: 2-tert-butyl-4-[1,2,2-tris(3-tert-butyl-4-carboxyphenyl)ethyl]benzoic acid IUPAC Name: 2-tert-butyl-4-[1,2,2-tris(3-tert-butyl-4-carboxyphenyl)ethyl]benzoic acid Traditional Name: 2-tert-butyl-4-[1,2,2-tris(3-tert-butyl-4-carboxy-phenyl)ethyl]benzoic acid Formula: C46H54O8 MolecularWeight: 734.91616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H54O8/c1-43(2,3)33-21-25(13-17-29(33)39(47)48)37(26-14-18-30(40(49)50)34(22-26)44(4,5)6)38(27-15-19-31(41(51)52)35(23-27)45(7,8)9)28-16-20-32(42(53)54)36(24-28)46(10,11)12/h13-24,37-38H,1-12H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)