disodium 4-[5-methyl-4-oxidanyl-3-[[4-(2-sulfonatooxyethylsulfamoyl)phenyl]diazenyl]-3,4-dihydropyrazol-2-yl]benzoate

Systemtic Name: disodium 4-[5-methyl-4-oxidanyl-3-[[4-(2-sulfonatooxyethylsulfamoyl)phenyl]diazenyl]-3,4-dihydropyrazol-2-yl]benzoate Openeye Name: disodium 4-[4-hydroxy-5-methyl-3-[4-(2-sulfonatooxyethylsulfamoyl)phenyl]azo-3,4-dihydropyrazol-2-yl]benzoate CAS Name: disodium 4-[4-hydroxy-5-methyl-3-[4-(2-sulfonatooxyethylsulfamoyl)phenyl]azo-3,4-dihydropyrazol-2-yl]benzoate IUPAC Name: disodium 4-[4-hydroxy-5-methyl-3-[[4-(2-sulfonatooxyethylsulfamoyl)phenyl]diazenyl]-3,4-dihydropyrazol-2-yl]benzoate Traditional Name: disodium 4-[4-hydroxy-3-methyl-5-[4-(2-sulfatoethylsulfamoyl)phenyl]azo-2-pyrazolin-1-yl]benzoate Formula: C19H19N5Na2O9S2 MolecularWeight: 571.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1O)N=NC2=CC=C(C=C2)S(=O)(=O)NCCOS(=O)(=O)[O-])C3=CC=C(C=C3)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=NN(C(C1O)N=NC2=CC=C(C=C2)S(=O)(=O)NCCOS(=O)(=O)[O-])C3=CC=C(C=C3)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C19H21N5O9S2.2Na/c1-12-17(25)18(24(23-12)15-6-2-13(3-7-15)19(26)27)22-21-14-4-8-16(9-5-14)34(28,29)20-10-11-33-35(30,31)32;;/h2-9,17-18,20,25H,10-11H2,1H3,(H,26,27)(H,30,31,32);;/q;2*+1/p-2