xanthylium, 9-(2,5-dicarboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)-, inner salt

3-[3,6-bis(diethylamino)xanthen-9-ylidene]-6-oxocyclohexa-1,4-diene-1,4-dicarboxylic acid

Also Known As: EINECS 228-795-1|Xanthylium, 9-(2,5-dicarboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)-, inner salt|Hydrogen 9-(2,5-dicarboxylato-4-hydroxyphenyl)-3,6-bis(diethylamino)xanthylium|3-[3,6-bis(diethylamino)xanthen-9-ylidene]-6-oxocyclohexa-1,4-diene-1,4-dicarboxylic acid|9-(2-Carboxylato-5-carboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)xanthylium|6-[6-(Diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl]-4-(dihydroxymethylidene)-3-oxocyclohexa-1,5-diene-1-carboxylate|9-(5-carboxy-2-carboxylato-4-hydroxyphenyl)-3,6-bis(diethylamino)-10lambda4-xanthen-10-ylium|Ammonium, [9-(2,5-dicarboxy-4-hydroxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethyl-, hydroxide, inner salt|Xanthylium, 9-(2,5-dicarboxy-4-hydroxyphenyl)-3,6-bis(diethylamino)-, hydroxide, inner salt

Molecular Formula	C29H30N2O6
Molecular Weight	502.2104 g/mol
LogP	4.8913
Topological Polar Surface Area	107.38 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	502.2104
Monoisotopic Mass	502.2104
Heavy Atoms	37
Complexity	1313.2609

Chemical Identifiers

CAS Number	6359-22-4
SMILES	CCN(CC)C1=CC2=C(C=C1)C(=C3C=C(C(=O)C=C3C(=O)O)C(=O)O)C4=C(O2)C=C(C=C4)N(CC)CC