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

Systemtic Name: 2-[1-acetyloxy-3-(4-tert-butylphenyl)propyl]hexanoate Openeye Name: 2-[1-acetoxy-3-(4-tert-butylphenyl)propyl]hexanoate CAS Name: 2-[1-acetyloxy-3-(4-tert-butylphenyl)propyl]hexanoate IUPAC Name: 2-[1-acetyloxy-3-(4-tert-butylphenyl)propyl]hexanoate Traditional Name: 2-[1-acetoxy-3-(4-tert-butylphenyl)propyl]hexanoate Formula: C21H31O4- MolecularWeight: 347.46844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CCC1=CC=C(C=C1)C(C)(C)C)OC(=O)C)C(=O)[O-]

Isomeric SMILES

CCCCC(C(CCC1=CC=C(C=C1)C(C)(C)C)OC(=O)C)C(=O)[O-]

InChI

InChI=1S/C21H32O4/c1-6-7-8-18(20(23)24)19(25-15(2)22)14-11-16-9-12-17(13-10-16)21(3,4)5/h9-10,12-13,18-19H,6-8,11,14H2,1-5H3,(H,23,24)/p-1