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

Systemtic Name: 5-[5-[4-(methylamino)phenyl]-3-oxidanylidene-1H-pyrazol-2-yl]-4-oxidanyl-benzene-1,3-disulfonic acid Openeye Name: 4-hydroxy-5-[5-[4-(methylamino)phenyl]-3-oxo-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid CAS Name: 4-hydroxy-5-[5-[4-(methylamino)phenyl]-3-oxo-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid IUPAC Name: 4-hydroxy-5-[5-[4-(methylamino)phenyl]-3-oxo-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid Traditional Name: 4-hydroxy-5-[5-keto-3-[4-(methylamino)phenyl]-3-pyrazolin-1-yl]benzene-1,3-disulfonic acid Formula: C16H15N3O8S2 MolecularWeight: 441.4356

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)C2=CC(=O)N(N2)C3=CC(=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CNC1=CC=C(C=C1)C2=CC(=O)N(N2)C3=CC(=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H15N3O8S2/c1-17-10-4-2-9(3-5-10)12-8-15(20)19(18-12)13-6-11(28(22,23)24)7-14(16(13)21)29(25,26)27/h2-8,17-18,21H,1H3,(H,22,23,24)(H,25,26,27)