CAS Number:
1686147-55-6
MDL No.:
Catalog Number:
A1014212
EINECS:
Molecular Formula:
C5 1 H6 4 N4 O4 S
Molecular Weight:
829.14
Boiling point:
Melting point:
Flash point:
Density:
Appearance:
Storage:
Store in 2-8°C for long term (months)
Chiral Purity:
Optical Rotation:
Refractivity:
Synonyms:
Smiles:
S([O-])(=O)(=O)CCCCN1/C(=C\C=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCN)C3=C(C4C(C=C3)=CC=CC=4)C2(C)C)/C(C)(C)C2=C1C=CC1C2=CC=CC=1
InchiKey:
WKCQFHIAPMFCGN-UHFFFAOYSA-N
Inchi:
InChI=1S/C51H64N4O4S/c1-50(2)45(54(43-32-30-39-23-14-16-25-41(39)48(43)50)36-20-10-13-29-47(56)53-35-19-9-8-18-34-52)27-11-6-5-7-12-28-46-51(3,4)49-42-26-17-15-24-40(42)31-33-44(49)55(46)37-21-22-38-60(57,58)59/h5-7,11-12,14-17,23-28,30-33H,8-10,13,18-22,29,34-38,52H2,1-4H3,(H-,53,56,57,58,59)