AC1MIA7N

calcium 5-acetamido-2-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate

Also Known As: EINECS 287-904-0|Calcium 5-acetamido-2-((4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl)azo)benzenesulphonate|Acetamide,N-[2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-4-(2-methoxyethoxy)-5-[(1-methylpropyl)amino]phenyl]|Benzenesulfonic acid,5-(acetylamino)-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-,calcium salt (1:1)|calcium 5-acetamido-2-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate|CALCIUM 5-ACETAMIDO-2-[[4,5-DIHYDRO-3-METHYL-5-OXO-1-(3-SULFONATOPHENYL)-1H-PYRAZOL-4-YL]AZO]BENZENESULFONATE|Calcium 5-acetamido-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzenesulphonate|calcium,5-acetamido-2-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate|calcium5-acetamido-2-[[4,5-dihydro-3-methyl-5-oxo-1- -1H-pyrazol-4-yl]azo]benzenesulphonate

Molecular Formula	C18H15CaN5O8S2
Molecular Weight	532.9988 g/mol
LogP	0.9474
Topological Polar Surface Area	200.89 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	11
Rotatable Bonds	6
Exact Mass	532.9988
Monoisotopic Mass	532.9988
Heavy Atoms	34
Complexity	1423.5673

Chemical Identifiers

CAS Number	85605-16-9
SMILES	CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)NC(=O)C)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].[Ca+2]