12-[(4-azido-5-iodanyl-2-oxidanyl-phenyl)carbonylamino]dodecanoic acid

Systemtic Name: 12-[(4-azido-5-iodanyl-2-oxidanyl-phenyl)carbonylamino]dodecanoic acid Openeye Name: 12-[(4-azido-2-hydroxy-5-iodo-benzoyl)amino]dodecanoic acid CAS Name: 12-[[(4-azido-2-hydroxy-5-iodophenyl)-oxomethyl]amino]dodecanoic acid IUPAC Name: 12-[(4-azido-2-hydroxy-5-iodobenzoyl)amino]dodecanoic acid Traditional Name: 12-[(4-azido-2-hydroxy-5-iodo-benzoyl)amino]lauric acid Formula: C19H27IN4O4 MolecularWeight: 502.34655

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1I)N=[N+]=[N-])O)C(=O)NCCCCCCCCCCCC(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1I)N=[N+]=[N-])O)C(=O)NCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C19H27IN4O4/c20-15-12-14(17(25)13-16(15)23-24-21)19(28)22-11-9-7-5-3-1-2-4-6-8-10-18(26)27/h12-13,25H,1-11H2,(H,22,28)(H,26,27)