3,4-dibutyl-5-iodanyl-phthalic acid

Systemtic Name: 3,4-dibutyl-5-iodanyl-phthalic acid Openeye Name: 3,4-dibutyl-5-iodo-phthalic acid CAS Name: 3,4-dibutyl-5-iodophthalic acid IUPAC Name: 3,4-dibutyl-5-iodophthalic acid Traditional Name: 3,4-dibutyl-5-iodo-phthalic acid Formula: C16H21IO4 MolecularWeight: 404.24001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C(=C1CCCC)C(=O)O)C(=O)O)I

Isomeric SMILES

CCCCC1=C(C=C(C(=C1CCCC)C(=O)O)C(=O)O)I

InChI

InChI=1S/C16H21IO4/c1-3-5-7-10-11(8-6-4-2)14(16(20)21)12(15(18)19)9-13(10)17/h9H,3-8H2,1-2H3,(H,18,19)(H,20,21)