oxidanium; chromium; pyridin-1-ium-3-ylmethanediol; trihydrate

Systemtic Name: oxidanium; chromium; pyridin-1-ium-3-ylmethanediol; trihydrate Openeye Name: oxonium; chromium; pyridin-1-ium-3-ylmethanediol; trihydrate CAS Name: oxonium; chromium; 3-pyridin-1-iumylmethanediol; trihydrate IUPAC Name: oxidanium; chromium; pyridin-1-ium-3-ylmethanediol; trihydrate Traditional Name: oxonium; chromium; pyridin-1-ium-3-ylmethanediol; trihydrate Formula: C36H57Cr3N6O16+7 MolecularWeight: 985.85668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)C(O)O.C1=CC(=C[NH+]=C1)C(O)O.C1=CC(=C[NH+]=C1)C(O)O.C1=CC(=C[NH+]=C1)C(O)O.C1=CC(=C[NH+]=C1)C(O)O.C1=CC(=C[NH+]=C1)C(O)O.[OH3+].O.O.O.[Cr].[Cr].[Cr]

Isomeric SMILES

C1=CC(=C[NH+]=C1)C(O)O.C1=CC(=C[NH+]=C1)C(O)O.C1=CC(=C[NH+]=C1)C(O)O.C1=CC(=C[NH+]=C1)C(O)O.C1=CC(=C[NH+]=C1)C(O)O.C1=CC(=C[NH+]=C1)C(O)O.[OH3+].O.O.O.[Cr].[Cr].[Cr]

InChI

InChI=1S/6C6H7NO2.3Cr.4H2O/c6*8-6(9)5-2-1-3-7-4-5;;;;;;;/h6*1-4,6,8-9H;;;;4*1H2/p+7