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

Systemtic Name: 2-[[3-methyl-5-oxidanylidene-1-[4-(2-sulfooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]naphthalene-1,5-disulfonic acid Openeye Name: 2-[[3-methyl-5-oxo-1-[4-(2-sulfooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]azo]naphthalene-1,5-disulfonic acid CAS Name: 2-[[3-methyl-5-oxo-1-[4-(2-sulfooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]azo]naphthalene-1,5-disulfonic acid IUPAC Name: 2-[[3-methyl-5-oxo-1-[4-(2-sulfooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]naphthalene-1,5-disulfonic acid Traditional Name: 2-[[5-keto-3-methyl-1-[4-(2-sulfoxyethylsulfonyl)phenyl]-2-pyrazolin-4-yl]azo]naphthalene-1,5-disulfonic acid Formula: C22H20N4O13S4 MolecularWeight: 676.6732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O13S4/c1-13-20(22(27)26(25-13)14-5-7-15(8-6-14)40(28,29)12-11-39-43(36,37)38)24-23-18-10-9-16-17(21(18)42(33,34)35)3-2-4-19(16)41(30,31)32/h2-10,20H,11-12H2,1H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)