trisodium; chromium(3+); 5-methyl-4-[(2E)-2-(2-oxidanylidene-4H-naphthalen-4-id-1-ylidene)hydrazinyl]-2-phenyl-4H-pyrazol-3-one; trisulfite

Systemtic Name: trisodium; chromium(3+); 5-methyl-4-[(2E)-2-(2-oxidanylidene-4H-naphthalen-4-id-1-ylidene)hydrazinyl]-2-phenyl-4H-pyrazol-3-one; trisulfite Openeye Name: chromic trisodium 5-methyl-4-[(2E)-2-(2-oxo-4H-naphthalen-4-id-1-ylidene)hydrazino]-2-phenyl-4H-pyrazol-3-one trisulfite CAS Name: trisodium; chromium(3+); 5-methyl-4-[(2E)-2-(2-oxo-4H-naphthalen-4-id-1-ylidene)hydrazinyl]-2-phenyl-4H-pyrazol-3-one; trisulfite IUPAC Name: trisodium; chromium(3+); 5-methyl-4-[(2E)-2-(2-oxo-4H-naphthalen-4-id-1-ylidene)hydrazinyl]-2-phenyl-4H-pyrazol-3-one; trisulfite Traditional Name: chromic trisodium 4-[(N'E)-N'-(2-keto-4H-naphthalen-4-id-1-ylidene)hydrazino]-5-methyl-2-phenyl-2-pyrazolin-3-one trisulfite Formula: C60H45CrN12Na3O15S3-3 MolecularWeight: 1391.23111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1NN=C2C3=CC=CC=C3[C-]=CC2=O)C4=CC=CC=C4.CC1=NN(C(=O)C1NN=C2C3=CC=CC=C3[C-]=CC2=O)C4=CC=CC=C4.CC1=NN(C(=O)C1NN=C2C3=CC=CC=C3[C-]=CC2=O)C4=CC=CC=C4.[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-].[Na+].[Na+].[Na+].[Cr+3]

Isomeric SMILES

CC1=NN(C(=O)C1N/N=C\2/C(=O)C=[C-]C3=CC=CC=C23)C4=CC=CC=C4.CC1=NN(C(=O)C1N/N=C\2/C(=O)C=[C-]C3=CC=CC=C23)C4=CC=CC=C4.CC1=NN(C(=O)C1N/N=C\2/C(=O)C=[C-]C3=CC=CC=C23)C4=CC=CC=C4.[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-].[Na+].[Na+].[Na+].[Cr+3]

InChI

InChI=1S/3C20H15N4O2.Cr.3Na.3H2O3S/c3*1-13-18(20(26)24(23-13)15-8-3-2-4-9-15)21-22-19-16-10-6-5-7-14(16)11-12-17(19)25;;;;;3*1-4(2)3/h3*2-10,12,18,21H,1H3;;;;;3*(H2,1,2,3)/q3*-1;+3;3*+1;;;/p-6/b3*22-19+;;;;;;;