iron(3+); 2-(oxidanidylcarbamoyl)-6-(8-phenylazanyloctylamino)benzoate

Systemtic Name: iron(3+); 2-(oxidanidylcarbamoyl)-6-(8-phenylazanyloctylamino)benzoate Openeye Name: ferric 2-(8-anilinooctylamino)-6-(oxidocarbamoyl)benzoate CAS Name: 2-(8-anilinooctylamino)-6-[(oxidoamino)-oxomethyl]benzoate; iron(3+) IUPAC Name: 2-(8-anilinooctylamino)-6-(oxidocarbamoyl)benzoate; iron(3+) Traditional Name: ferric 2-(8-anilinooctylamino)-6-(oxidocarbamoyl)benzoate Formula: C22H27FeN3O4+ MolecularWeight: 453.31248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCCCCCCCCNC2=CC=CC(=C2C(=O)[O-])C(=O)N[O-].[Fe+3]

Isomeric SMILES

C1=CC=C(C=C1)NCCCCCCCCNC2=CC=CC(=C2C(=O)[O-])C(=O)N[O-].[Fe+3]

InChI

InChI=1S/C22H28N3O4.Fe/c26-21(25-29)18-13-10-14-19(20(18)22(27)28)24-16-9-4-2-1-3-8-15-23-17-11-6-5-7-12-17;/h5-7,10-14,23-24H,1-4,8-9,15-16H2,(H2-,25,26,27,28,29);/q-1;+3/p-1