3-[[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]naphthalene-1,5-disulfonic acid Openeye Name: 3-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]azo]naphthalene-1,5-disulfonic acid CAS Name: 3-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]azo]naphthalene-1,5-disulfonic acid IUPAC Name: 3-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]naphthalene-1,5-disulfonic acid Traditional Name: 3-[[5-keto-3-methyl-1-(4-sulfophenyl)-2-pyrazolin-4-yl]azo]naphthalene-1,5-disulfonic acid Formula: C20H16N4O10S3 MolecularWeight: 568.55684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C20H16N4O10S3/c1-11-19(20(25)24(23-11)13-5-7-14(8-6-13)35(26,27)28)22-21-12-9-16-15(18(10-12)37(32,33)34)3-2-4-17(16)36(29,30)31/h2-10,19H,1H3,(H,26,27,28)(H,29,30,31)(H,32,33,34)