2-[1-acetyloxy-3-(4-tert-butylphenyl)propyl]heptanoic acid

Systemtic Name: 2-[1-acetyloxy-3-(4-tert-butylphenyl)propyl]heptanoic acid Openeye Name: 2-[1-acetoxy-3-(4-tert-butylphenyl)propyl]heptanoic acid CAS Name: 2-[1-acetyloxy-3-(4-tert-butylphenyl)propyl]heptanoic acid IUPAC Name: 2-[1-acetyloxy-3-(4-tert-butylphenyl)propyl]heptanoic acid Traditional Name: 2-[1-acetoxy-3-(4-tert-butylphenyl)propyl]enanthic acid Formula: C22H34O4 MolecularWeight: 362.50296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CCC1=CC=C(C=C1)C(C)(C)C)OC(=O)C)C(=O)O

Isomeric SMILES

CCCCCC(C(CCC1=CC=C(C=C1)C(C)(C)C)OC(=O)C)C(=O)O

InChI

InChI=1S/C22H34O4/c1-6-7-8-9-19(21(24)25)20(26-16(2)23)15-12-17-10-13-18(14-11-17)22(3,4)5/h10-11,13-14,19-20H,6-9,12,15H2,1-5H3,(H,24,25)