AC1NX4XX

4-hydroxy-7-[4-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]naphthalene-2-sulfonic acid

Also Known As: EINECS 285-722-6|7-(4,5-Dihydro-4-((2-hydroxy-3-nitro-5-sulphophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-hydroxynaphthalene-2-sulphonic acid|2-Naphthalenesulfonicacid,7-[4,5-dihydro-4-[2-(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-hydroxy-|4-hydroxy-7-[3-methyl-4-[(2Z)-2-(5-nitro-6-oxo-3-sulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-oxo-4H-pyrazol-1-yl]naphthalene-2-sulfonic acid|4-hydroxy-7-{4-[2-(2-hydroxy-3-nitro-5-sulfophenyl)diazen-1-yl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}naphthalene-2-sulfonic acid|7-[[4,5-Dihydro-4-[(2-hydroxy-3-nitro-5-sulfophenyl)azo]-3-methyl-5-oxo-1H-pyrazol]-1-yl]-4-hydroxy-2-naphthalenesulfonic acid|7-[4,5-dihydro-4-[(2-hydroxy-3-nitro-5-sulphophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-hydroxynaphthalene-2-sulphonic acid|7-[4,5-Dihydro-4-[2-(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-hydroxy-2-naphthalenesulfonic acid

Molecular Formula	C20H15N5O11S2
Molecular Weight	565.02094 g/mol
LogP	2.5276
Topological Polar Surface Area	249.73 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	6
Exact Mass	565.02094
Monoisotopic Mass	565.02094
Heavy Atoms	38
Complexity	1818.4895

Chemical Identifiers

CAS Number	85136-00-1
SMILES	CC1=NN(C(=O)C1N=NC2=C(C(=CC(=C2)S(=O)(=O)O)[N+](=O)[O-])O)C3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O