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2-[[3-acetamido-2,4,6-tris(iodanyl)phenyl]methyl]butanedioic acid

2-[[3-acetamido-2,4,6-tris(iodanyl)phenyl]methyl]butanedioic acid

Systemtic Name:2-[[3-acetamido-2,4,6-tris(iodanyl)phenyl]methyl]butanedioic acid
Openeye Name:2-[(3-acetamido-2,4,6-triiodo-phenyl)methyl]butanedioic acid
CAS Name:2-[(3-acetamido-2,4,6-triiodophenyl)methyl]butanedioic acid
IUPAC Name:2-[(3-acetamido-2,4,6-triiodophenyl)methyl]butanedioic acid
Traditional Name:2-(3-acetamido-2,4,6-triiodo-benzyl)succinic acid
Formula: C13H12I3NO5
MolecularWeight: 642.95149
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1I)CC(CC(=O)O)C(=O)O)I)I


Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1I)CC(CC(=O)O)C(=O)O)I)I


InChI

InChI=1S/C13H12I3NO5/c1-5(18)17-12-9(15)4-8(14)7(11(12)16)2-6(13(21)22)3-10(19)20/h4,6H,2-3H2,1H3,(H,17,18)(H,19,20)(H,21,22)


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