disodium 3-[(4Z)-3-methoxycarbonyl-4-[[4-(methylamino)phenyl]methylidene]-5-oxidanylidene-pyrazol-1-yl]-5-sulfinatooxy-benzenesulfonate

Systemtic Name: disodium 3-[(4Z)-3-methoxycarbonyl-4-[[4-(methylamino)phenyl]methylidene]-5-oxidanylidene-pyrazol-1-yl]-5-sulfinatooxy-benzenesulfonate Openeye Name: disodium 3-[(4Z)-3-methoxycarbonyl-4-[[4-(methylamino)phenyl]methylene]-5-oxo-pyrazol-1-yl]-5-sulfinatooxy-benzenesulfonate CAS Name: disodium 3-[(4Z)-3-methoxycarbonyl-4-[[4-(methylamino)phenyl]methylidene]-5-oxo-1-pyrazolyl]-5-sulfinatooxybenzenesulfonate IUPAC Name: disodium 3-[(4Z)-3-methoxycarbonyl-4-[[4-(methylamino)phenyl]methylidene]-5-oxopyrazol-1-yl]-5-sulfinatooxybenzenesulfonate Traditional Name: disodium 3-[(4Z)-3-carbomethoxy-5-keto-4-[4-(methylamino)benzylidene]-2-pyrazolin-1-yl]-5-sulfito-besylate Formula: C19H15N3Na2O9S2 MolecularWeight: 539.44664

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC(=CC(=C3)S(=O)(=O)[O-])OS(=O)[O-])C(=O)OC.[Na+].[Na+]

Isomeric SMILES

CNC1=CC=C(C=C1)/C=C\2/C(=NN(C2=O)C3=CC(=CC(=C3)S(=O)(=O)[O-])OS(=O)[O-])C(=O)OC.[Na+].[Na+]

InChI

InChI=1S/C19H17N3O9S2.2Na/c1-20-12-5-3-11(4-6-12)7-16-17(19(24)30-2)21-22(18(16)23)13-8-14(31-32(25)26)10-15(9-13)33(27,28)29;;/h3-10,20H,1-2H3,(H,25,26)(H,27,28,29);;/q;2*+1/p-2/b16-7-;;