disodium 4-[4-[(E,3E)-3-[3-carboxy-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-5-(dioxidanylmethyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonate

Systemtic Name: disodium 4-[4-[(E,3E)-3-[3-carboxy-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-5-(dioxidanylmethyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonate Openeye Name: disodium 4-[4-[(E,3E)-3-[3-carboxy-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-5-(hydroperoxymethyl)-3-oxo-1H-pyrazol-2-yl]benzenesulfonate CAS Name: disodium 4-[4-[(E,3E)-3-[3-carboxy-5-oxo-1-(4-sulfonatophenyl)-4-pyrazolylidene]prop-1-enyl]-5-(hydroperoxymethyl)-3-oxo-1H-pyrazol-2-yl]benzenesulfonate IUPAC Name: disodium 4-[4-[(E,3E)-3-[3-carboxy-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-5-(hydroperoxymethyl)-3-oxo-1H-pyrazol-2-yl]benzenesulfonate Traditional Name: disodium 4-[4-[(E,3E)-3-[3-carboxy-5-keto-1-(4-sulfonatophenyl)-2-pyrazolin-4-ylidene]prop-1-enyl]-3-(hydroperoxymethyl)-5-keto-3-pyrazolin-1-yl]besylate Formula: C23H16N4Na2O12S2 MolecularWeight: 650.50228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(=C(N2)COO)C=CC=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C(=O)O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C(=C(N2)COO)/C=C/C=C/3\C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C(=O)O)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C23H18N4O12S2.2Na/c28-21-17(19(12-39-32)24-26(21)13-4-8-15(9-5-13)40(33,34)35)2-1-3-18-20(23(30)31)25-27(22(18)29)14-6-10-16(11-7-14)41(36,37)38;;/h1-11,24,32H,12H2,(H,30,31)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/b2-1+,18-3+;;