chromium(3+); 2-ethylhexan-1-amine; hydron; 5-nitro-3-[(5-nitro-2-oxidanidyl-phenyl)methylideneamino]-2-oxidanidyl-benzenesulfonate; methanoate

Systemtic Name: chromium(3+); 2-ethylhexan-1-amine; hydron; 5-nitro-3-[(5-nitro-2-oxidanidyl-phenyl)methylideneamino]-2-oxidanidyl-benzenesulfonate; methanoate Openeye Name: chromic; 2-ethylhexan-1-amine; hydron; 5-nitro-3-[(5-nitro-2-oxido-phenyl)methyleneamino]-2-oxido-benzenesulfonate; formate CAS Name: chromium(3+); 2-ethyl-1-hexanamine; hydron; 5-nitro-3-[(5-nitro-2-oxidophenyl)methylideneamino]-2-oxidobenzenesulfonate; formate IUPAC Name: chromium(3+); 2-ethylhexan-1-amine; hydron; 5-nitro-3-[(5-nitro-2-oxidophenyl)methylideneamino]-2-oxidobenzenesulfonate; formate Traditional Name: chromic; 2-ethylhexylamine; hydron; 5-nitro-3-[(5-nitro-2-oxido-benzylidene)amino]-2-oxido-besylate; formate Formula: C22H27CrN4O11S MolecularWeight: 607.53108

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCCCC(CC)CN.C1=CC(=C(C=C1[N+](=O)[O-])C=NC2=CC(=CC(=C2[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].C(=O)[O-].[Cr+3]

Isomeric SMILES

[H+].CCCCC(CC)CN.C1=CC(=C(C=C1[N+](=O)[O-])C=NC2=CC(=CC(=C2[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].C(=O)[O-].[Cr+3]

InChI

InChI=1S/C13H9N3O9S.C8H19N.CH2O2.Cr/c17-11-2-1-8(15(19)20)3-7(11)6-14-10-4-9(16(21)22)5-12(13(10)18)26(23,24)25;1-3-5-6-8(4-2)7-9;2-1-3;/h1-6,17-18H,(H,23,24,25);8H,3-7,9H2,1-2H3;1H,(H,2,3);/q;;;+3/p-3