107803-27-0
2(3H)-FURANONE, DIHYDRO-3-((3,4-DIHYDROXY-5-(((4-NITROPHENYL)THIO)METH YL)PHENYL)METHYLENE)-
Name2(3H)-FURANONE, DIHYDRO-3-((3,4-DIHYDROXY-5-(((4-NITROPHENYL)THIO)METH YL)PHENYL)METHYLENE)-
1Identification
【Name】
2(3H)-FURANONE, DIHYDRO-3-((3,4-DIHYDROXY-5-(((4-NITROPHENYL)THIO)METH YL)PHENYL)METHYLENE)-
【CAS】
【MDL】
MFCD01753065
【English Synonyms】
【Formula】
C18 H15 N O6 S
【MolWeight】
373.384
【Inchi】
InChI=1S/C18H15NO6S/c20-16-9-11(7-12-5-6-25-18(12)22)8-13(17(16)21)10-26-15-3-1-14(2-4-15)19(23)24/h1-4,7-9,20-21H,5-6,10H2/b12-7+
【InChIKey】
InChIKey=IBPQZZQVKYXRLG-KPKJPENVSA-N
【SMILES】
c1cc(ccc1[N+](=O)[O-])SCc2cc(cc(c2O)O)/C=C/3\CCOC3=O
【MOL File】
2(3H)-FURANONE, DIHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2(3H)-FURANONE, DIHYDRO-3-((3,4-DIHYDROXY-5-(((4-NITROPHENYL)THIO)METH YL)PHENYL)METHYLENE)-.cml