disodium 2-[(2Z)-2-[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]hydrazinyl]benzoate

Systemtic Name: disodium 2-[(2Z)-2-[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]hydrazinyl]benzoate Openeye Name: disodium 2-[(2Z)-2-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]hydrazino]benzoate CAS Name: disodium 2-[(2Z)-2-[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4-pyrazolylidene]hydrazinyl]benzoate IUPAC Name: disodium 2-[(2Z)-2-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]hydrazinyl]benzoate Traditional Name: disodium 2-[(N'Z)-N'-[5-keto-3-methyl-1-(4-sulfonatophenyl)-2-pyrazolin-4-ylidene]hydrazino]benzoate Formula: C17H12N4Na2O6S MolecularWeight: 446.34492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=CC=C2C(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC\1=NN(C(=O)/C1=N\NC2=CC=CC=C2C(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C17H14N4O6S.2Na/c1-10-15(19-18-14-5-3-2-4-13(14)17(23)24)16(22)21(20-10)11-6-8-12(9-7-11)28(25,26)27;;/h2-9,18H,1H3,(H,23,24)(H,25,26,27);;/q;2*+1/p-2/b19-15-;;