NITR 5 TETRAKIS(ACETOXYMETHYL ESTER)

CAS No.
209161-73-9
CCD No.
CCD00049081
Formula
C43 H47 N3 O23
MolWeight
973.842

Basic Information

Product Name: NITR 5 TETRAKIS(ACETOXYMETHYL ESTER)
CAS: 209161-73-9
English Synonyms: NITR 5/AM ; 1-[2-AMINO-5-(1-HYDROXY-1-[2-NITRO-4,5-METHYLENEDIOXYPHENYL]METHYL)PHENOXY]-2-(2'-AMINO-5'-METHYLPHENOXY)ETHANE-N,N,N',N'-TETRAACETIC ACID, TETRAACETOXYMETHYL ESTER ; NITR 5 TETRAKIS(ACETOXYMETHYL ESTER)
MDL Number.: MFCD00077381
H bond acceptor: 26
H bond donor: 1
Smile: Cc1ccc(c(c1)OCCOc2cc(ccc2N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)C(c3cc4c(cc3[N+](=O)[O-])OCO4)O)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C
InChi: InChI=1S/C43H47N3O23/c1-25-6-8-32(44(16-39(51)66-20-60-26(2)47)17-40(52)67-21-61-27(3)48)35(12-25)58-10-11-59-36-13-30(43(55)31-14-37-38(65-24-64-37)15-34(31)46(56)57)7-9-33(36)45(18-41(53)68-22-62-28(4)49)19-42(54)69-23-63-29(5)50/h6-9,12-15,43,55H,10-11,16-24H2,1-5H3
InChiKey: InChIKey=KGQNBQFELVBWSX-UHFFFAOYSA-N

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