RefChem:95753

1-ethyl-2-[3-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole;4-methylbenzenesulfonate

Also Known As: 3H-Indolium, 1-ethyl-2-[3-(1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)|3H-Indolium, 1-ethyl-2-(3-(1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1-propen-1-yl)-3,3-dimethyl-, 4-methylbenzenesulfonate (1:1)|3H-Indolium, 1-ethyl-2-(3-(1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1-propenyl)-3,3-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)|1-Ethyl-2-[3-(1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-3,3-dimethyl-3H-indol-1-ium 4-methylbenzene-1-sulfonate|3H-Indolium, 1-ethyl-2-[3-(1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-3,3-dimethyl-, 4-methylbenzenesulfonate (1:1)

Molecular Formula	C34H40N2O3S
Molecular Weight	556.27594 g/mol
LogP	7.24
Topological Polar Surface Area	63.45 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	556.27594
Heavy Atoms	40
Complexity	1594.1

Chemical Identifiers

CAS Number	65294-07-7
SMILES	CCN1C2=CC=CC=C2C(C1=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CC)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]