disodium 5-bromanyl-4-[5-(2-ethoxy-2-methyl-propyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid

Systemtic Name: disodium 5-bromanyl-4-[5-(2-ethoxy-2-methyl-propyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid Openeye Name: disodium 5-bromo-4-[5-(2-ethoxy-2-methyl-propyl)-3-oxo-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid CAS Name: disodium 5-bromo-4-[5-(2-ethoxy-2-methylpropyl)-3-oxo-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid IUPAC Name: disodium 5-bromo-4-[5-(2-ethoxy-2-methylpropyl)-3-oxo-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid Traditional Name: disodium 5-bromo-4-[3-(2-ethoxy-2-methyl-propyl)-5-keto-3-pyrazolin-1-yl]benzene-1,3-disulfonic acid Formula: C15H19BrN2Na2O8S2+2 MolecularWeight: 545.3335

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)(C)CC1=CC(=O)N(N1)C2=C(C=C(C=C2Br)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

CCOC(C)(C)CC1=CC(=O)N(N1)C2=C(C=C(C=C2Br)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C15H19BrN2O8S2.2Na/c1-4-26-15(2,3)8-9-5-13(19)18(17-9)14-11(16)6-10(27(20,21)22)7-12(14)28(23,24)25;;/h5-7,17H,4,8H2,1-3H3,(H,20,21,22)(H,23,24,25);;/q;2*+1