Xylene cyanol free acid

4-[[4-(ethylamino)-3-methylphenyl]-(4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-6-hydroxybenzene-1,3-disulfonic acid

Also Known As: Trypan Blen|Xylene cyanol free acid|1,3-Benzenedisulfonic acid, 4-[[4-(ethylamino)-3-methylphenyl][4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-6-hydroxy-|4-[[4-(Ethylamino)-3-methylphenyl][4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-6-hydroxy-1,3-benzenedisulfonic acid|Toluene-2,4-disulfonic acid, alpha-[4-(ethylamino)-m-tolyl]-alpha-[4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]-5-hydroxy-

Molecular Formula	C25H28N2O7S2
Molecular Weight	532.1338 g/mol
LogP	3.8
Topological Polar Surface Area	170.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	532.1338
Monoisotopic Mass	532.1338
Heavy Atoms	36
Complexity	1140.0

Chemical Identifiers

CAS Number	21563-96-2
SMILES	CCNC1=C(C=C(C=C1)C(=C2C=CC(=NCC)C(=C2)C)C3=CC(=C(C=C3S(=O)(=O)O)S(=O)(=O)O)O)C
InChIKey	NSKAASUNQKDGPA-UHFFFAOYSA-N