2,3-ditert-butyl-2-[(4-ethanoylphenyl)methoxycarbonyl]heptanedioic acid

Systemtic Name: 2,3-ditert-butyl-2-[(4-ethanoylphenyl)methoxycarbonyl]heptanedioic acid Openeye Name: 2-[(4-acetylphenyl)methoxycarbonyl]-2,3-ditert-butyl-heptanedioic acid CAS Name: 2-[(4-acetylphenyl)methoxy-oxomethyl]-2,3-ditert-butylheptanedioic acid IUPAC Name: 2-[(4-acetylphenyl)methoxycarbonyl]-2,3-ditert-butylheptanedioic acid Traditional Name: 2-(4-acetylbenzyl)oxycarbonyl-2,3-ditert-butyl-pimelic acid Formula: C25H36O7 MolecularWeight: 448.54914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)COC(=O)C(C(CCCC(=O)O)C(C)(C)C)(C(=O)O)C(C)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)COC(=O)C(C(CCCC(=O)O)C(C)(C)C)(C(=O)O)C(C)(C)C

InChI

InChI=1S/C25H36O7/c1-16(26)18-13-11-17(12-14-18)15-32-22(31)25(21(29)30,24(5,6)7)19(23(2,3)4)9-8-10-20(27)28/h11-14,19H,8-10,15H2,1-7H3,(H,27,28)(H,29,30)