3,5-bis(hexanoylamino)-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3,5-bis(hexanoylamino)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3,5-bis(hexanoylamino)-2,4,6-triiodo-benzoic acid CAS Name: 2,4,6-triiodo-3,5-bis(1-oxohexylamino)benzoic acid IUPAC Name: 3,5-bis(hexanoylamino)-2,4,6-triiodobenzoic acid Traditional Name: 3,5-bis(caproylamino)-2,4,6-triiodo-benzoic acid Formula: C19H25I3N2O4 MolecularWeight: 726.12621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CCCCC)I

Isomeric SMILES

CCCCCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CCCCC)I

InChI

InChI=1S/C19H25I3N2O4/c1-3-5-7-9-11(25)23-17-14(20)13(19(27)28)15(21)18(16(17)22)24-12(26)10-8-6-4-2/h3-10H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)