disodium 3,5-dimethyl-2-[[3-methyl-5-oxidanylidene-1-[4-(2-sulfonatooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]benzenesulfonate

Systemtic Name: disodium 3,5-dimethyl-2-[[3-methyl-5-oxidanylidene-1-[4-(2-sulfonatooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]benzenesulfonate Openeye Name: disodium 3,5-dimethyl-2-[[3-methyl-5-oxo-1-[4-(2-sulfonatooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]azo]benzenesulfonate CAS Name: disodium 3,5-dimethyl-2-[[3-methyl-5-oxo-1-[4-(2-sulfonatooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]azo]benzenesulfonate IUPAC Name: disodium 3,5-dimethyl-2-[[3-methyl-5-oxo-1-[4-(2-sulfonatooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]benzenesulfonate Traditional Name: disodium 2-[[5-keto-3-methyl-1-[4-(2-sulfatoethylsulfonyl)phenyl]-2-pyrazolin-4-yl]azo]-3,5-dimethyl-besylate Formula: C20H20N4Na2O10S3 MolecularWeight: 618.56814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)[O-])N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-])C)C.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)[O-])N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-])C)C.[Na+].[Na+]

InChI

InChI=1S/C20H22N4O10S3.2Na/c1-12-10-13(2)18(17(11-12)36(28,29)30)21-22-19-14(3)23-24(20(19)25)15-4-6-16(7-5-15)35(26,27)9-8-34-37(31,32)33;;/h4-7,10-11,19H,8-9H2,1-3H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2