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

Systemtic Name: 2,4-dimethoxy-5-[[3-methyl-5-oxidanylidene-1-[4-(2-sulfooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid Openeye Name: 2,4-dimethoxy-5-[[3-methyl-5-oxo-1-[4-(2-sulfooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]azo]benzenesulfonic acid CAS Name: 2,4-dimethoxy-5-[[3-methyl-5-oxo-1-[4-(2-sulfooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]azo]benzenesulfonic acid IUPAC Name: 2,4-dimethoxy-5-[[3-methyl-5-oxo-1-[4-(2-sulfooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid Traditional Name: 5-[[5-keto-3-methyl-1-[4-(2-sulfoxyethylsulfonyl)phenyl]-2-pyrazolin-4-yl]azo]-2,4-dimethoxy-besylic acid Formula: C20H22N4O12S3 MolecularWeight: 606.60328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2OC)OC)S(=O)(=O)O)C3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2OC)OC)S(=O)(=O)O)C3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C20H22N4O12S3/c1-12-19(22-21-15-10-18(38(28,29)30)17(35-3)11-16(15)34-2)20(25)24(23-12)13-4-6-14(7-5-13)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)