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

Systemtic Name: sodium 4-[4-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate Openeye Name: sodium 4-[4-[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate CAS Name: sodium 4-[4-[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate IUPAC Name: sodium 4-[4-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate Traditional Name: sodium 4-[5-keto-4-[2-methoxy-5-methyl-4-(2-sulfoxyethylsulfonyl)phenyl]azo-3-methyl-2-pyrazolin-1-yl]besylate Formula: C20H21N4NaO11S3 MolecularWeight: 612.58571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)O)OC)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)O)OC)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C20H22N4O11S3.Na/c1-12-10-16(17(34-3)11-18(12)36(26,27)9-8-35-38(31,32)33)21-22-19-13(2)23-24(20(19)25)14-4-6-15(7-5-14)37(28,29)30;/h4-7,10-11,19H,8-9H2,1-3H3,(H,28,29,30)(H,31,32,33);/q;+1/p-1