sodium 4-[4-[[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate

Systemtic Name: sodium 4-[4-[[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate Openeye Name: sodium 4-[4-[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate CAS Name: sodium 4-[4-[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate IUPAC Name: sodium 4-[4-[[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate Traditional Name: sodium 4-[4-[2,5-dimethoxy-4-(2-sulfoxyethylsulfonyl)phenyl]azo-5-keto-3-methyl-2-pyrazolin-1-yl]besylate Formula: C20H21N4NaO12S3 MolecularWeight: 628.58511

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2OC)S(=O)(=O)CCOS(=O)(=O)O)OC)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2OC)S(=O)(=O)CCOS(=O)(=O)O)OC)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H22N4O12S3.Na/c1-12-19(20(25)24(23-12)13-4-6-14(7-5-13)38(28,29)30)22-21-15-10-17(35-3)18(11-16(15)34-2)37(26,27)9-8-36-39(31,32)33;/h4-7,10-11,19H,8-9H2,1-3H3,(H,28,29,30)(H,31,32,33);/q;+1/p-1