3-butanoyloxy-2-(4-tert-butylphenyl)-2-ethyl-pentanoate

Systemtic Name: 3-butanoyloxy-2-(4-tert-butylphenyl)-2-ethyl-pentanoate Openeye Name: 3-butanoyloxy-2-(4-tert-butylphenyl)-2-ethyl-pentanoate CAS Name: 2-(4-tert-butylphenyl)-2-ethyl-3-(1-oxobutoxy)pentanoate IUPAC Name: 3-butanoyloxy-2-(4-tert-butylphenyl)-2-ethylpentanoate Traditional Name: 2-(4-tert-butylphenyl)-3-butyryloxy-2-ethyl-valerate Formula: C21H31O4- MolecularWeight: 347.46844

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(CC)C(CC)(C1=CC=C(C=C1)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CCCC(=O)OC(CC)C(CC)(C1=CC=C(C=C1)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C21H32O4/c1-7-10-18(22)25-17(8-2)21(9-3,19(23)24)16-13-11-15(12-14-16)20(4,5)6/h11-14,17H,7-10H2,1-6H3,(H,23,24)/p-1