3-methylbutyl 5-iodanyl-2-oxidanyl-benzoate

Systemtic Name: 3-methylbutyl 5-iodanyl-2-oxidanyl-benzoate Openeye Name: isopentyl 2-hydroxy-5-iodo-benzoate CAS Name: 2-hydroxy-5-iodobenzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-hydroxy-5-iodobenzoate Traditional Name: 2-hydroxy-5-iodo-benzoic acid isoamyl ester Formula: C12H15IO3 MolecularWeight: 334.15017

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=C(C=CC(=C1)I)O

Isomeric SMILES

CC(C)CCOC(=O)C1=C(C=CC(=C1)I)O

InChI

InChI=1S/C12H15IO3/c1-8(2)5-6-16-12(15)10-7-9(13)3-4-11(10)14/h3-4,7-8,14H,5-6H2,1-2H3