tetrasodium 5-[4-[(1E,3E,5E,7Z)-7-[1-(3,5-disulfonatophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]hepta-1,3,5-trienyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzene-1,3-disulfonate

Systemtic Name: tetrasodium 5-[4-[(1E,3E,5E,7Z)-7-[1-(3,5-disulfonatophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]hepta-1,3,5-trienyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzene-1,3-disulfonate Openeye Name: tetrasodium 5-[4-[(1E,3E,5E,7Z)-7-[1-(3,5-disulfonatophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]hepta-1,3,5-trienyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzene-1,3-disulfonate CAS Name: tetrasodium 5-[4-[(1E,3E,5E,7Z)-7-[1-(3,5-disulfonatophenyl)-3-methyl-5-oxo-4-pyrazolylidene]hepta-1,3,5-trienyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzene-1,3-disulfonate IUPAC Name: tetrasodium 5-[4-[(1E,3E,5E,7Z)-7-[1-(3,5-disulfonatophenyl)-3-methyl-5-oxopyrazol-4-ylidene]hepta-1,3,5-trienyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzene-1,3-disulfonate Traditional Name: tetrasodium 5-[4-[(1E,3E,5E,7Z)-7-[1-(3,5-disulfonatophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]hepta-1,3,5-trienyl]-5-keto-3-methyl-2-pyrazolin-1-yl]benzene-1,3-disulfonate Formula: C27H20N4Na4O14S4 MolecularWeight: 844.68518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=CC=CC=CC=C2C(=NN(C2=O)C3=CC(=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C4=CC(=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1/C=C/C=C/C=C/C=C\2/C(=NN(C2=O)C3=CC(=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C4=CC(=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C27H24N4O14S4.4Na/c1-16-24(26(32)30(28-16)18-10-20(46(34,35)36)14-21(11-18)47(37,38)39)8-6-4-3-5-7-9-25-17(2)29-31(27(25)33)19-12-22(48(40,41)42)15-23(13-19)49(43,44)45;;;;/h3-15,24H,1-2H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;;/q;4*+1/p-4/b4-3+,7-5+,8-6+,25-9-;;;;