Molecule ID: 44140628

IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2',4,7,7'-tetrachloro-3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylate

Description: The molecule is a fluorescein compound having chlorine substituents in the 2'-, 4-, 7- and 7'-positions and a succinimidyloxycarbonyl substituent at the 6-position. It has a role as a fluorochrome. It derives from a fluorescein.

SMILES: O=C(ON1C(=O)CCC1=O)c1cc(Cl)c2c(c1Cl)C1(OC2=O)c2cc(Cl)c(O)cc2Oc2cc(O)c(Cl)cc21

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

InChI: InChI=1S/C25H11Cl4NO9/c26-11-4-9-16(6-14(11)31)37-17-7-15(32)12(27)5-10(17)25(9)21-20(24(36)38-25)13(28)3-8(22(21)29)23(35)39-30-18(33)1-2-19(30)34/h3-7,31-32H,1-2H2

Molecular Properties:
- Polar Surface Area: 140.0 Ų
- LogP: 4.9