Molecule ID: 15366546

IUPAC Name: oxiran-2-ylmethyl 2-[3-(oxiran-2-ylmethoxy)-6-oxoxanthen-9-yl]benzoate

Description: The molecule is an epoxide fluorescent probe for use in in vivo visualization of hydrogen sulfide. The probe employs a fluorescein as a fluorophore, and is equipped with an operating epoxide unit. FEPO functions via epoxide ring opening via nucleophilic attack by H2S. It has a role as a fluorescent probe. It is an epoxide, a benzoate ester, an aromatic ether and a xanthene dye. It derives from a fluorescein.

SMILES: O=C(OCC1CO1)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(OCC3CO3)ccc12

SELFIES: [O][=C][Branch1][Branch2][O][C][C][C][O][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][Branch2][O][C][C][C][O][Ring1][Ring1][=C][C][=C][Ring2][Ring1][Ring2][Ring1][O]

InChI: InChI=1S/C26H20O7/c27-15-5-7-21-23(9-15)33-24-10-16(29-11-17-12-30-17)6-8-22(24)25(21)19-3-1-2-4-20(19)26(28)32-14-18-13-31-18/h1-10,17-18H,11-14H2

Molecular Properties:
- Polar Surface Area: 86.9 Ų
- LogP: 2.5