253160-40-6
(Z)-2-(TRITYLOXY)IMINO-2-(5-CHLORO-2-(TRITYLAMINO)THIAZOL-4-YL)ACETIC ACID
Name(Z)-2-(TRITYLOXY)IMINO-2-(5-CHLORO-2-(TRITYLAMINO)THIAZOL-4-YL)ACETIC ACID
1Identification
【Name】
(Z)-2-(TRITYLOXY)IMINO-2-(5-CHLORO-2-(TRITYLAMINO)THIAZOL-4-YL)ACETIC ACID
【CAS】
【MDL】
MFCD16877730
【English Synonyms】
【Formula】
C43H32ClN3O3S
【MolWeight】
706.263
【Inchi】
InChI=1S/C43H32ClN3O3S/c44-39-37(45-41(51-39)46-42(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)38(40(48)49)47-50-43(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H,(H,45,46)(H,48,49)/b47-38-
【InChIKey】
InChIKey=YCFQXDYRDOGRPB-ZEJZBGNUSA-N
【SMILES】
C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)O\N=C(/C(=O)O)\C=1N=C(SC1Cl)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
【MOL File】
(Z)-2-(TRITYLOXY)IMI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:13.0067
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(Z)-2-(TRITYLOXY)IMINO-2-(5-CHLORO-2-(TRITYLAMINO)THIAZOL-4-YL)ACETIC ACID.cml