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

Systemtic Name: 2,3,4,5,6-pentakis(2,2-dimethylhexan-3-yloxy)benzoate Openeye Name: 2,3,4,5,6-pentakis(1-tert-butylbutoxy)benzoate CAS Name: 2,3,4,5,6-pentakis(2,2-dimethylhexan-3-yloxy)benzoate IUPAC Name: 2,3,4,5,6-pentakis(2,2-dimethylhexan-3-yloxy)benzoate Traditional Name: 2,3,4,5,6-pentakis(1-tert-butylbutoxy)benzoate Formula: C47H85O7- MolecularWeight: 762.1736

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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)/p-1