dipotassium 4-[5-[[2-acetamido-4-[ethyl(4-sulfonatobutyl)amino]phenyl]diazenyl]-4-cyano-pyrazol-1-yl]-2,5-bis(chloranyl)benzenesulfonate

Systemtic Name: dipotassium 4-[5-[[2-acetamido-4-[ethyl(4-sulfonatobutyl)amino]phenyl]diazenyl]-4-cyano-pyrazol-1-yl]-2,5-bis(chloranyl)benzenesulfonate Openeye Name: dipotassium 4-[5-[2-acetamido-4-[ethyl(4-sulfonatobutyl)amino]phenyl]azo-4-cyano-pyrazol-1-yl]-2,5-dichloro-benzenesulfonate CAS Name: dipotassium 4-[5-[2-acetamido-4-[ethyl(4-sulfonatobutyl)amino]phenyl]azo-4-cyano-1-pyrazolyl]-2,5-dichlorobenzenesulfonate IUPAC Name: dipotassium 4-[5-[[2-acetamido-4-[ethyl(4-sulfonatobutyl)amino]phenyl]diazenyl]-4-cyanopyrazol-1-yl]-2,5-dichlorobenzenesulfonate Traditional Name: dipotassium 4-[5-[2-acetamido-4-[ethyl(4-sulfonatobutyl)amino]phenyl]azo-4-cyano-pyrazol-1-yl]-2,5-dichloro-besylate Formula: C24H23Cl2K2N7O7S2 MolecularWeight: 734.71472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCS(=O)(=O)[O-])C1=CC(=C(C=C1)N=NC2=C(C=NN2C3=CC(=C(C=C3Cl)S(=O)(=O)[O-])Cl)C#N)NC(=O)C.[K+].[K+]

Isomeric SMILES

CCN(CCCCS(=O)(=O)[O-])C1=CC(=C(C=C1)N=NC2=C(C=NN2C3=CC(=C(C=C3Cl)S(=O)(=O)[O-])Cl)C#N)NC(=O)C.[K+].[K+]

InChI

InChI=1S/C24H25Cl2N7O7S2.2K/c1-3-32(8-4-5-9-41(35,36)37)17-6-7-20(21(10-17)29-15(2)34)30-31-24-16(13-27)14-28-33(24)22-11-19(26)23(12-18(22)25)42(38,39)40;;/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,29,34)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2