Rhodamine 101 inner salt

2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoate

Also Known As: Rhodamine 101 inner salt|Rhodamine 101|Rhodamine 640|rhodamine-101|Rhodamine101innersalt|3-Phenyl-4-amino-butanol|Rhodamine 101 (inner salt)|MSK2490|EX-A4163|HY-D1240|Rhodamine 101 inner salt, pure, 99per cent|Rhodamine 101 inner salt, for fluorescence|J3.248.020I|AH-034/32464023|1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium, 9-(2-carboxyphenyl)-2,3,6,7,12,13,16,17-octahydro-, inner salt|2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoate|9-(2-Carboxyphenyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium inner salt|9-(2-Carboxyphenyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j inverted exclamation marka]diquinolizin-18-ium inner salt|16-(2-carboxylatophenyl)-3-oxa-9lambda5,23-diazaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1,4,9(28),13,15,17,19(27)-heptaen-9-ylium|2-(1H,2H,3H,5H,6H,7H,11H,12H,13H,15H,16H,17H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-18-ium-9-yl)benzoate|2-(2,3,6,7,12,13,16,17-Octahydro-1H,5H,11H,15H-pyrido(3,2,1-ij)pyrido(1'',2'',3'':1',8')quinolino(6',5':5,6)pyrano(2,3-f)quinolin-18-ium-9-yl)benzoate|2-(2,3,6,7,12,13,16,17-Octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]pyrido[1'',2'',3'':1',8']quinolino[6',5':5,6]pyrano[2,3-f]quinolin-18-ium-9-yl)benzoate|2-(2,3,6,7,12,13,16,17-Octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]qu inolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)benzoate

Molecular Formula	C32H30N2O3
Molecular Weight	490.22565 g/mol
LogP	2.4854
Topological Polar Surface Area	55.61 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	490.22565
Monoisotopic Mass	490.22565
Heavy Atoms	37
Complexity	1645.648

Chemical Identifiers

CAS Number	64339-18-0
SMILES	C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=CC=CC=C8C(=O)[O-])CCC7