methanolate; oxygen(2-); 1,10-phenanthroline; vanadium; vanadium(4+); tetrahydrate

Systemtic Name: methanolate; oxygen(2-); 1,10-phenanthroline; vanadium; vanadium(4+); tetrahydrate Openeye Name: methanolate; oxygen(2-); 1,10-phenanthroline; vanadium; vanadium(4+); tetrahydrate CAS Name: methanolate; oxygen(2-); 1,10-phenanthroline; vanadium; vanadium(4+); tetrahydrate IUPAC Name: methanolate; oxygen(2-); 1,10-phenanthroline; vanadium; vanadium(4+); tetrahydrate Traditional Name: methanolate; oxygen(2-); 1,10-phenanthroline; vanadium; vanadium(4+); tetrahydrate Formula: C52H52N8O20V6-20 MolecularWeight: 1414.65988

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Descriptors Computed from Structure

Canonical SMILES:

C[O-].C[O-].C[O-].C[O-].C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.O.O.O.O.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[V].[V].[V].[V].[V+4].[V+4]

Isomeric SMILES

C[O-].C[O-].C[O-].C[O-].C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.O.O.O.O.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[V].[V].[V].[V].[V+4].[V+4]

InChI

InChI=1S/4C12H8N2.4CH3O.4H2O.12O.6V/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*1-2;;;;;;;;;;;;;;;;;;;;;;/h4*1-8H;4*1H3;4*1H2;;;;;;;;;;;;;;;;;;/q;;;;4*-1;;;;;12*-2;;;;;2*+4