5-hydroxyimino-6-oxidaniumylidene-naphthalene-2-sulfonate; iron

Systemtic Name: 5-hydroxyimino-6-oxidaniumylidene-naphthalene-2-sulfonate; iron Openeye Name: 5-hydroxyimino-6-oxoniumylidene-naphthalene-2-sulfonate; iron CAS Name: 5-hydroxyimino-6-oxoniumylidene-2-naphthalenesulfonate; iron IUPAC Name: 5-hydroxyimino-6-oxoniumylidenenaphthalene-2-sulfonate; iron Traditional Name: 5-hydroximino-6-oxoniumylidene-naphthalene-2-sulfonate; iron Formula: C30H21FeN3O15S3 MolecularWeight: 815.53884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=[OH+])C2=NO)C=C1S(=O)(=O)[O-].C1=CC2=C(C=CC(=[OH+])C2=NO)C=C1S(=O)(=O)[O-].C1=CC2=C(C=CC(=[OH+])C2=NO)C=C1S(=O)(=O)[O-].[Fe]

Isomeric SMILES

C1=CC2=C(C=CC(=[OH+])C2=NO)C=C1S(=O)(=O)[O-].C1=CC2=C(C=CC(=[OH+])C2=NO)C=C1S(=O)(=O)[O-].C1=CC2=C(C=CC(=[OH+])C2=NO)C=C1S(=O)(=O)[O-].[Fe]

InChI

InChI=1S/3C10H7NO5S.Fe/c3*12-9-4-1-6-5-7(17(14,15)16)2-3-8(6)10(9)11-13;/h3*1-5,13H,(H,14,15,16);