AC1O53BP

trisodium;7-[[2-acetamido-4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate

Also Known As: EINECS 219-968-2|Trisodium 7-((2-(acetylamino)-4-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)phenyl)azo)naphthalene-1,3,6-trisulphonate|trisodium7-[[2- -4-[[ carbonyl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonate|1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-(acetylamino)-4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]phenyl]diazenyl]-, sodium salt (1:3)|1,3,6-Naphthalenetrisulfonicacid,7-[2-[2-(acetylamino)-4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]phenyl]diazenyl]-,sodium salt (1:3)|TRISODIUM 7-[[2-(ACETYLAMINO)-4-[[(2,3-DICHLORO-6-QUINOXALINYL)CARBONYL]AMINO]PHENYL]AZO]NAPHTHALENE-1,3,6-TRISULPHONATE|trisodium 7-[[2-acetamido-4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate

Molecular Formula	C27H15Cl2N6Na3O11S3
Molecular Weight	833.90314 g/mol
LogP	-4.5598
Topological Polar Surface Area	280.3 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	15
Rotatable Bonds	8
Exact Mass	833.90314
Monoisotopic Mass	833.90314
Heavy Atoms	52
Complexity	2635.7217

Chemical Identifiers

CAS Number	2587-59-9
SMILES	CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)N=C(C(=N3)Cl)Cl)N=NC4=CC5=C(C=C(C=C5C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]