ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azaniumhydrogen carbonate

ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azanium;hydrogen carbonate

CAS: 26694-70-2

Molecular Formula	`C28H30N2O6`
Molecular Weight	490.5 g/mol
Topological Polar Surface Area	122.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	490.2104
Heavy Atoms	36
Complexity	832.0

Chemical Identifiers

CAS Number	26694-70-2
SMILES	`CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OC.C(=O)(O)[O-]`
InChIKey	`YOZYNNKGMCTGTH-UHFFFAOYSA-N`

📖 Product Overview

ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azaniumhydrogen carbonate (CAS: 26694-70-2) is a chemical compound with molecular formula C28H30N2O6 and molecular weight 490.5 g/mol. Its IUPAC systematic name is ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azanium;hydrogen carbonate. Topological Polar Surface Area 122.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 7 Rotatable Bonds 6 Exact Mass 490.2104 Heavy Atoms 36 Complexity 832.0 InChI Key: YOZYNNKGMCTGTH-UHFFFAOYSA-N. SMILES: CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OC.C(=O)(O)[O-].

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