Molecule ID: 56927694

IUPAC Name: [9-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-8,8-dimethyl-2-oxo-4-(trifluoromethyl)pyrano[3,2-g]quinolin-6-yl]methanesulfonate;triethylazanium

Description: The molecule is a methanesulfonate salt, a pyrrolidinone and an organic heterotricyclic compound. It has a role as a fluorochrome. It contains a triethylammonium ion and an Alexa Fluor 430(1-).

SMILES: CC1(C)C=C(CS(=O)(=O)O)c2cc3c(C(F)(F)F)cc(=O)oc3cc2N1CCCCCC(=O)ON1C(=O)CCC1=O.CCN(CC)CC

SELFIES: [C][C][Branch1][C][C][C][=C][Branch1][#Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=Branch1][C][=O][O][C][=Ring1][O][C][=C][Ring1][#C][N][Ring2][Ring1][=Branch2][C][C][C][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O].[C][C][N][Branch1][Ring1][C][C][C][C]

InChI: InChI=1S/C26H27F3N2O9S.C6H15N/c1-25(2)13-15(14-41(36,37)38)16-10-17-18(26(27,28)29)11-24(35)39-20(17)12-19(16)30(25)9-5-3-4-6-23(34)40-31-21(32)7-8-22(31)33;1-4-7(5-2)6-3/h10-13H,3-9,14H2,1-2H3,(H,36,37,38);4-6H2,1-3H3

Molecular Properties:
- Polar Surface Area: 163.0 Ų
- LogP: nan