1055726-18-5
2-isothiocyanato-succinic acid 1-benzyl ester 4-(9H-fluoren-9-ylmethyl) ester
Name2-isothiocyanato-succinic acid 1-benzyl ester 4-(9H-fluoren-9-ylmethyl) ester
1Identification
【Name】
2-isothiocyanato-succinic acid 1-benzyl ester 4-(9H-fluoren-9-ylmethyl) ester
【CAS】
【MDL】
【English Synonyms】
【Formula】
C26H21NO4S
【MolWeight】
443.514
【Inchi】
InChI=1S/C26H21NO4S/c28-25(14-24(27-17-32)26(29)31-15-18-8-2-1-3-9-18)30-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14-16H2
【InChIKey】
InChIKey=XAOCVNTYFHLFBW-UHFFFAOYSA-N
【SMILES】
C1=CC=CC=2C3=CC=CC=C3C(C12)COC(CC(C(=O)OCC1=CC=CC=C1)N=C=S)=O
【MOL File】
2-isothiocyanato-suc….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
2-isothiocyanato-succinic acid 1-benzyl ester 4-(9H-fluoren-9-ylmethyl) ester.cml