5-chloranyl-4-ethyl-2-[[3-methyl-5-oxidanylidene-1-(3-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid

Systemtic Name: 5-chloranyl-4-ethyl-2-[[3-methyl-5-oxidanylidene-1-(3-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid Openeye Name: 5-chloro-4-ethyl-2-[[3-methyl-5-oxo-1-(3-sulfophenyl)-4H-pyrazol-4-yl]azo]benzenesulfonic acid CAS Name: 5-chloro-4-ethyl-2-[[3-methyl-5-oxo-1-(3-sulfophenyl)-4H-pyrazol-4-yl]azo]benzenesulfonic acid IUPAC Name: 5-chloro-4-ethyl-2-[[3-methyl-5-oxo-1-(3-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid Traditional Name: 5-chloro-4-ethyl-2-[[5-keto-3-methyl-1-(3-sulfophenyl)-2-pyrazolin-4-yl]azo]besylic acid Formula: C18H17ClN4O7S2 MolecularWeight: 500.93318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1Cl)S(=O)(=O)O)N=NC2C(=NN(C2=O)C3=CC(=CC=C3)S(=O)(=O)O)C

Isomeric SMILES

CCC1=CC(=C(C=C1Cl)S(=O)(=O)O)N=NC2C(=NN(C2=O)C3=CC(=CC=C3)S(=O)(=O)O)C

InChI

InChI=1S/C18H17ClN4O7S2/c1-3-11-7-15(16(9-14(11)19)32(28,29)30)20-21-17-10(2)22-23(18(17)24)12-5-4-6-13(8-12)31(25,26)27/h4-9,17H,3H2,1-2H3,(H,25,26,27)(H,28,29,30)