4-[2-[3-ethoxycarbonyl-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]hydrazinyl]naphthalene-1-sulfonate

Systemtic Name: 4-[2-[3-ethoxycarbonyl-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]hydrazinyl]naphthalene-1-sulfonate Openeye Name: 4-[2-[3-ethoxycarbonyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]hydrazino]naphthalene-1-sulfonate CAS Name: 4-[2-[3-ethoxycarbonyl-5-oxo-1-(4-sulfonatophenyl)-4-pyrazolylidene]hydrazinyl]-1-naphthalenesulfonate IUPAC Name: 4-[2-[3-ethoxycarbonyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]hydrazinyl]naphthalene-1-sulfonate Traditional Name: 4-[N'-[3-carbethoxy-5-keto-1-(4-sulfonatophenyl)-2-pyrazolin-4-ylidene]hydrazino]naphthalene-1-sulfonate Formula: C22H16N4O9S2-2 MolecularWeight: 544.51384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1=NNC2=CC=C(C3=CC=CC=C32)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C1=NNC2=CC=C(C3=CC=CC=C32)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-]

InChI

InChI=1S/C22H18N4O9S2/c1-2-35-22(28)20-19(21(27)26(25-20)13-7-9-14(10-8-13)36(29,30)31)24-23-17-11-12-18(37(32,33)34)16-6-4-3-5-15(16)17/h3-12,23H,2H2,1H3,(H,29,30,31)(H,32,33,34)/p-2