3,5-ditert-butyl-4-hexanoyloxy-benzoic acid

Systemtic Name: 3,5-ditert-butyl-4-hexanoyloxy-benzoic acid Openeye Name: 3,5-ditert-butyl-4-hexanoyloxy-benzoic acid CAS Name: 3,5-ditert-butyl-4-(1-oxohexoxy)benzoic acid IUPAC Name: 3,5-ditert-butyl-4-hexanoyloxybenzoic acid Traditional Name: 3,5-ditert-butyl-4-caproyloxy-benzoic acid Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(C=C(C=C1C(C)(C)C)C(=O)O)C(C)(C)C

Isomeric SMILES

CCCCCC(=O)OC1=C(C=C(C=C1C(C)(C)C)C(=O)O)C(C)(C)C

InChI

InChI=1S/C21H32O4/c1-8-9-10-11-17(22)25-18-15(20(2,3)4)12-14(19(23)24)13-16(18)21(5,6)7/h12-13H,8-11H2,1-7H3,(H,23,24)