disodium 4-[5-[3-(methylamino)phenyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid

Systemtic Name: disodium 4-[5-[3-(methylamino)phenyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid Openeye Name: disodium 4-[5-[3-(methylamino)phenyl]-3-oxo-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid CAS Name: disodium 4-[5-[3-(methylamino)phenyl]-3-oxo-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid IUPAC Name: disodium 4-[5-[3-(methylamino)phenyl]-3-oxo-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid Traditional Name: disodium 4-[5-keto-3-[3-(methylamino)phenyl]-3-pyrazolin-1-yl]benzene-1,3-disulfonic acid Formula: C16H15N3Na2O7S2+2 MolecularWeight: 471.41574

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC(=C1)C2=CC(=O)N(N2)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

CNC1=CC=CC(=C1)C2=CC(=O)N(N2)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C16H15N3O7S2.2Na/c1-17-11-4-2-3-10(7-11)13-9-16(20)19(18-13)14-6-5-12(27(21,22)23)8-15(14)28(24,25)26;;/h2-9,17-18H,1H3,(H,21,22,23)(H,24,25,26);;/q;2*+1