4-ethylhexan-2-yl 4-iodanylbenzoate

Systemtic Name: 4-ethylhexan-2-yl 4-iodanylbenzoate Openeye Name: (3-ethyl-1-methyl-pentyl) 4-iodobenzoate CAS Name: 4-iodobenzoic acid 4-ethylhexan-2-yl ester IUPAC Name: 4-ethylhexan-2-yl 4-iodobenzoate Traditional Name: 4-iodobenzoic acid (3-ethyl-1-methyl-pentyl) ester Formula: C15H21IO2 MolecularWeight: 360.23051

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC(C)OC(=O)C1=CC=C(C=C1)I

Isomeric SMILES

CCC(CC)CC(C)OC(=O)C1=CC=C(C=C1)I

InChI

InChI=1S/C15H21IO2/c1-4-12(5-2)10-11(3)18-15(17)13-6-8-14(16)9-7-13/h6-9,11-12H,4-5,10H2,1-3H3