AC1O5BNV

tetrasodium;3-imino-4-[2-[4-[[4-[2-(2-imino-8-oxo-3,6-disulfonatonaphthalen-1-yl)hydrazinyl]phenyl]carbamoylamino]phenyl]hydrazinyl]-5-oxonaphthalene-2,7-disulfonate

Also Known As: EINECS 229-829-8|C.I. Direct Red 101, tetrasodium salt|2,7-Naphthalenedisulfonic acid, 4,4'-[carbonylbis(imino-4,1-phenyleneazo)]bis[3-amino-5-hydroxy-, tetrasodium salt|tetrasodium 3-imino-4-[2-[4-[[4-[2-(2-imino-8-oxo-3,6-disulfonatonaphthalen-1-yl)hydrazinyl]phenyl]carbamoylamino]phenyl]hydrazinyl]-5-oxonaphthalene-2,7-disulfonate|Tetrasodium 4,4'-(carbonylbis(imino-4,1-phenyleneazo))bis(3-amino-5-hydroxynaphthalene-2,7-disulphonate)|Tetrasodium 4,4'-[carbonylbis(imino-4,1-phenyleneazo)]bis[3-amino-5-hydroxynaphthalene-2,7-disulphonate]

Molecular Formula	C33H22N8Na4O15S4
Molecular Weight	989.96783 g/mol
LogP	-11.51086
Topological Polar Surface Area	399.89 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	21
Rotatable Bonds	12
Exact Mass	989.96783
Monoisotopic Mass	989.96783
Heavy Atoms	64
Complexity	2899.5198

Chemical Identifiers

CAS Number	6771-81-9
SMILES	C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)NNC3=C4C(=CC(=CC4=O)S(=O)(=O)[O-])C=C(C3=N)S(=O)(=O)[O-])NNC5=C6C(=CC(=CC6=O)S(=O)(=O)[O-])C=C(C5=N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]