(1-hydroxyimino-6-sulfo-naphthalen-2-ylidene)oxidanium; iron

Systemtic Name: (1-hydroxyimino-6-sulfo-naphthalen-2-ylidene)oxidanium; iron Openeye Name: (1-hydroxyimino-6-sulfo-2-naphthylidene)oxonium; iron CAS Name: (1-hydroxyimino-6-sulfo-2-naphthalenylidene)oxonium; iron IUPAC Name: (1-hydroxyimino-6-sulfonaphthalen-2-ylidene)oxidanium; iron Traditional Name: (1-hydroximino-6-sulfo-2-naphthylidene)oxonium; iron Formula: C30H24FeN3O15S3+3 MolecularWeight: 818.56266

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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);/p+3