pentasodium 4-[3-[3-carboxylato-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-5-oxidanidyl-1-(4-sulfonatophenyl)pyrazole-3-carboxylate

Systemtic Name: pentasodium 4-[3-[3-carboxylato-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-5-oxidanidyl-1-(4-sulfonatophenyl)pyrazole-3-carboxylate Openeye Name: pentasodium 4-[3-[3-carboxylato-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-5-oxido-1-(4-sulfonatophenyl)pyrazole-3-carboxylate CAS Name: pentasodium 4-[3-[3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-4-pyrazolylidene]prop-1-enyl]-5-oxido-1-(4-sulfonatophenyl)-3-pyrazolecarboxylate IUPAC Name: pentasodium 4-[3-[3-carboxylato-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-5-oxido-1-(4-sulfonatophenyl)pyrazole-3-carboxylate Traditional Name: pentasodium 4-[3-[3-carboxylato-5-keto-1-(4-sulfonatophenyl)-2-pyrazolin-4-ylidene]prop-1-enyl]-5-oxido-1-(4-sulfonatophenyl)pyrazole-3-carboxylate Formula: C23H11N4Na5O12S2 MolecularWeight: 714.43189

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16N4O12S2.5Na/c28-20-16(18(22(30)31)24-26(20)12-4-8-14(9-5-12)40(34,35)36)2-1-3-17-19(23(32)33)25-27(21(17)29)13-6-10-15(11-7-13)41(37,38)39;;;;;/h1-11,28H,(H,30,31)(H,32,33)(H,34,35,36)(H,37,38,39);;;;;/q;5*+1/p-5