6-((6-(((2-Cyanoethoxy)(diisopropylamino)phosphaneyl)oxy)hexyl)carbamoyl)-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate)

Analyte Name

6-((6-(((2-Cyanoethoxy)(diisopropylamino)phosphaneyl)oxy)hexyl)carbamoyl)-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate)

CAS Number

204697-37-0

Molecular Formula

C46 H58 N3 O10 P

Molecular Weight

843.941

Accurate Mass

843.386

SMILES

CC(C)N(C(C)C)P(OCCCCCCNC(=O)c1ccc2C(=O)OC3(c4ccc(OC(=O)C(C)(C)C)cc4Oc5cc(OC(=O)C(C)(C)C)ccc35)c2c1)OCCC#N

InChI

InChI=1S/C46H58N3O10P/c1-29(2)49(30(3)4)60(55-25-15-22-47)54-24-14-12-11-13-23-48-40(50)31-16-19-34-37(26-31)46(59-41(34)51)35-20-17-32(56-42(52)44(5,6)7)27-38(35)58-39-28-33(18-21-36(39)46)57-43(53)45(8,9)10/h16-21,26-30H,11-15,23-25H2,1-10H3,(H,48,50)

IUPAC

[6-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylcarbamoyl]-6'-(2,2-dimethylpropanoyloxy)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] 2,2-dimethylpropanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat