CAS Number:
1955527-41-9
MDL No.:
Catalog Number:
A1178261
EINECS:
Molecular Formula:
C4 4 H5 0 N6 O1 3 S4
Molecular Weight:
999.16
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)C1C2C=CC3[N+](CCCCCC(=O)NCCCN=[N+]=[N-])=C(/C=C/C=C/C=C4/N(CC)C5=C(C6=C(C=C5)C(S(O)(=O)=O)=CC(S(O)(=O)=O)=C6)C/4(C)C)C(C)(C)C=3C=2C=C(S(O)(=O)=O)C=1
InchiKey:
BQFSLMCVGRFHSA-UHFFFAOYSA-N
Inchi:
InChI=1S/C44H50N6O13S4/c1-6-49-34-19-17-30-32(24-28(64(52,53)54)26-36(30)66(58,59)60)41(34)43(2,3)38(49)14-9-7-10-15-39-44(4,5)42-33-25-29(65(55,56)57)27-37(67(61,62)63)31(33)18-20-35(42)50(39)23-12-8-11-16-40(51)46-21-13-22-47-48-45/h7,9-10,14-15,17-20,24-27H,6,8,11-13,16,21-23H2,1-5H3,(H4-,46,51,52,53,54,55,56,57,58,59,60,61,62,63)
