(5E,8E,11E,14E)-20-(2-azido-5-iodanyl-phenyl)carbonyloxyicosa-5,8,11,14-tetraenoic acid

Systemtic Name: (5E,8E,11E,14E)-20-(2-azido-5-iodanyl-phenyl)carbonyloxyicosa-5,8,11,14-tetraenoic acid Openeye Name: (5E,8E,11E,14E)-20-(2-azido-5-iodo-benzoyl)oxyicosa-5,8,11,14-tetraenoic acid CAS Name: (5E,8E,11E,14E)-20-[(2-azido-5-iodophenyl)-oxomethoxy]eicosa-5,8,11,14-tetraenoic acid IUPAC Name: (5E,8E,11E,14E)-20-(2-azido-5-iodobenzoyl)oxyicosa-5,8,11,14-tetraenoic acid Traditional Name: (5E,8E,11E,14E)-20-(2-azido-5-iodo-benzoyl)oxyeicosa-5,8,11,14-tetraenoic acid Formula: C27H34IN3O4 MolecularWeight: 591.48103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1I)C(=O)OCCCCCC=CCC=CCC=CCC=CCCCC(=O)O)N=[N+]=[N-]

Isomeric SMILES

C1=CC(=C(C=C1I)C(=O)OCCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O)N=[N+]=[N-]

InChI

InChI=1S/C27H34IN3O4/c28-23-19-20-25(30-31-29)24(22-23)27(34)35-21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-26(32)33/h1,3-4,6-7,9-10,12,19-20,22H,2,5,8,11,13-18,21H2,(H,32,33)/b3-1+,6-4+,9-7+,12-10+