Molecule ID: 25195388

IUPAC Name: pentapotassium;2-[6-[bis(carboxylatomethyl)amino]-5-[2-[2-[bis(carboxylatomethyl)amino]phenoxy]ethoxy]-1-benzofuran-2-yl]-4,5-dihydro-1,3-oxazole-5-carboxylate

Description: The molecule is a member of 1,3-oxazoles and an organic potassium salt. It has a role as a fluorochrome. It contains a fura-2(5-).

SMILES: O=C([O-])CN(CC(=O)[O-])c1ccccc1OCCOc1cc2cc(C3=NCC(C(=O)[O-])O3)oc2cc1N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+].[K+]

SELFIES: [O][=C][Branch1][C][O-1][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][C][=C][C][C][=C][Branch1][#C][C][=N][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][O][Ring1][Branch2][O][C][=Ring1][=N][C][=C][Ring1][P][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1].[K+1].[K+1].[K+1].[K+1].[K+1]

InChI: InChI=1S/C28H27N3O14.5K/c32-23(33)11-30(12-24(34)35)16-3-1-2-4-18(16)42-5-6-43-20-7-15-8-21(27-29-10-22(45-27)28(40)41)44-19(15)9-17(20)31(13-25(36)37)14-26(38)39;;;;;/h1-4,7-9,22H,5-6,10-14H2,(H,32,33)(H,34,35)(H,36,37)(H,38,39)(H,40,41);;;;;/q;5*+1/p-5

Molecular Properties:
- Polar Surface Area: 260.0 Ų
- LogP: nan