Products 172646-47-8

CAS 172646-47-8 is the registry number for 5,5'-Dinitro BAPTA AM. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

Acetyloxymethyl 2-[N-[2-(acetyloxymethoxy)-2-oxoethyl]-2-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-5-nitrophenoxy]ethoxy]-4-nitroanilino]acetate (CAS 172646-47-8) is a chemical compound with the molecular formula C34H38N4O22 and a molecular weight of 854.7 g/mol. IUPAC name: acetyloxymethyl 2-[N-[2-(acetyloxymethoxy)-2-oxoethyl]-2-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-5-nitrophenoxy]ethoxy]-4-nitroanilino]acetate. InChIKey: QLZFIFBGSHPFNZ-UHFFFAOYSA-N.

Identity
Molecular formulaC34H38N4O22
Molecular weight854.7 g/mol
IUPAC nameacetyloxymethyl 2-[N-[2-(acetyloxymethoxy)-2-oxoethyl]-2-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-5-nitrophenoxy]ethoxy]-4-nitroanilino]acetate
InChIKeyQLZFIFBGSHPFNZ-UHFFFAOYSA-N
SMILESCC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)C1=C(C=C(C=C1)[N+](=O)[O-])OCCOC2=C(C=CC(=C2)[N+](=O)[O-])N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C

Computed by PubChem (NCBI)