12-(4-{2-[(2,5-dioxopyrrolidin-1-yl)oxy]-2-oxoethoxy}phenyl)-2,2-difluoro-4-(thiophen-2-yl)-1??,3-diaza-2-boratricyclo[7.3.0.0³,?]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide

CAS: 150152-65-1

Formula: C25H18BF2N3O5S

SMILES: F[B-]1(F)N2C(=CC=C2C2=CC=CS2)C=C2C=CC(C3=CC=C(OCC(=O)ON4C(=O)CCC4=O)C=C3)=[N+]12

IUPAC: 12-(4-{2-[(2,5-dioxopyrrolidin-1-yl)oxy]-2-oxoethoxy}phenyl)-2,2-difluoro-4-(thiophen-2-yl)-1??,3-diaza-2-boratricyclo[7.3.0.0³,?]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide

InChI: InChI=1S/C25H18BF2N3O5S/c27-26(28)29-17(14-18-6-10-21(30(18)26)22-2-1-13-37-22)5-9-20(29)16-3-7-19(8-4-16)35-15-25(34)36-31-23(32)11-12-24(31)33/h1-10,13-14H,11-12,15H2

Composition: C (57.60%), H (3.48%), B (2.07%), F (7.29%), N (8.06%), O (15.35%), S (6.15%)

Molar Mass: 521.3

Atom Count: 55

Heavy Atom Count: 37