butyl 4-butoxy-3-ethanoyl-5-iodanyl-benzoate

Systemtic Name: butyl 4-butoxy-3-ethanoyl-5-iodanyl-benzoate Openeye Name: butyl 3-acetyl-4-butoxy-5-iodo-benzoate CAS Name: 3-acetyl-4-butoxy-5-iodobenzoic acid butyl ester IUPAC Name: butyl 3-acetyl-4-butoxy-5-iodobenzoate Traditional Name: 3-acetyl-4-butoxy-5-iodo-benzoic acid butyl ester Formula: C17H23IO4 MolecularWeight: 418.26659

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1I)C(=O)OCCCC)C(=O)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1I)C(=O)OCCCC)C(=O)C

InChI

InChI=1S/C17H23IO4/c1-4-6-8-21-16-14(12(3)19)10-13(11-15(16)18)17(20)22-9-7-5-2/h10-11H,4-9H2,1-3H3