2,3,4,5,6-pentakis(2,2-dimethylhexan-3-yloxy)benzoic acid

Systemtic Name: 2,3,4,5,6-pentakis(2,2-dimethylhexan-3-yloxy)benzoic acid Openeye Name: 2,3,4,5,6-pentakis(1-tert-butylbutoxy)benzoic acid CAS Name: 2,3,4,5,6-pentakis(2,2-dimethylhexan-3-yloxy)benzoic acid IUPAC Name: 2,3,4,5,6-pentakis(2,2-dimethylhexan-3-yloxy)benzoic acid Traditional Name: 2,3,4,5,6-pentakis(1-tert-butylbutoxy)benzoic acid Formula: C47H86O7 MolecularWeight: 763.18154

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)(C)C)OC1=C(C(=C(C(=C1OC(CCC)C(C)(C)C)OC(CCC)C(C)(C)C)OC(CCC)C(C)(C)C)OC(CCC)C(C)(C)C)C(=O)O

Isomeric SMILES

CCCC(C(C)(C)C)OC1=C(C(=C(C(=C1OC(CCC)C(C)(C)C)OC(CCC)C(C)(C)C)OC(CCC)C(C)(C)C)OC(CCC)C(C)(C)C)C(=O)O

InChI

InChI=1S/C47H86O7/c1-21-26-31(43(6,7)8)50-37-36(42(48)49)38(51-32(27-22-2)44(9,10)11)40(53-34(29-24-4)46(15,16)17)41(54-35(30-25-5)47(18,19)20)39(37)52-33(28-23-3)45(12,13)14/h31-35H,21-30H2,1-20H3,(H,48,49)