4-butanoyloxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzoic acid

Systemtic Name: 4-butanoyloxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzoic acid Openeye Name: 4-butanoyloxy-3,5-bis(1,1,3,3-tetramethylbutyl)benzoic acid CAS Name: 4-(1-oxobutoxy)-3,5-bis(2,4,4-trimethylpentan-2-yl)benzoic acid IUPAC Name: 4-butanoyloxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzoic acid Traditional Name: 4-butyryloxy-3,5-bis(1,1,3,3-tetramethylbutyl)benzoic acid Formula: C27H44O4 MolecularWeight: 432.63586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C(C=C1C(C)(C)CC(C)(C)C)C(=O)O)C(C)(C)CC(C)(C)C

Isomeric SMILES

CCCC(=O)OC1=C(C=C(C=C1C(C)(C)CC(C)(C)C)C(=O)O)C(C)(C)CC(C)(C)C

InChI

InChI=1S/C27H44O4/c1-12-13-21(28)31-22-19(26(8,9)16-24(2,3)4)14-18(23(29)30)15-20(22)27(10,11)17-25(5,6)7/h14-15H,12-13,16-17H2,1-11H3,(H,29,30)