3-butanoyloxy-5-(4-tert-butylphenyl)-2-ethyl-pentanoate

Systemtic Name: 3-butanoyloxy-5-(4-tert-butylphenyl)-2-ethyl-pentanoate Openeye Name: 3-butanoyloxy-5-(4-tert-butylphenyl)-2-ethyl-pentanoate CAS Name: 5-(4-tert-butylphenyl)-2-ethyl-3-(1-oxobutoxy)pentanoate IUPAC Name: 3-butanoyloxy-5-(4-tert-butylphenyl)-2-ethylpentanoate Traditional Name: 5-(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(CCC1=CC=C(C=C1)C(C)(C)C)C(CC)C(=O)[O-]

Isomeric SMILES

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

InChI

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