1-(4-ISOTHIOCYANATOBENZYL)ETHYLENEDIAMINE-N,N,N',N'-TETRAACETIC ACID

CAS No.
105394-74-9
CCD No.
CCD00107383
Formula
C18 H21 N3 O8 S
MolWeight
439.443

Basic Information

Product Name: 1-(4-ISOTHIOCYANATOBENZYL)ETHYLENEDIAMINE-N,N,N',N'-TETRAACETIC ACID
CAS: 105394-74-9
English Synonyms: ISOTHIOCYANATOBENZYL-EDTA ; 1-(4-ISOTHIOCYANATOBENZYL)ETHYLENEDIAMINE-N,N,N',N'-TETRAACETIC ACID
MDL Number.: MFCD00236411
H bond acceptor: 11
H bond donor: 4
Smile: c1cc(ccc1CC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)N=C=S
InChi: InChI=1S/C18H21N3O8S/c22-15(23)7-20(8-16(24)25)6-14(21(9-17(26)27)10-18(28)29)5-12-1-3-13(4-2-12)19-11-30/h1-4,14H,5-10H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)
InChiKey: InChIKey=VHMWJVAFPCGUTJ-UHFFFAOYSA-N

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