CAS Number:
2382994-65-0
MDL No.:
Catalog Number:
A948276
EINECS:
Molecular Formula:
C4 3 H4 9 KN6 O1 3 S4
Molecular Weight:
1,025.24
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:
CC1(C)C2=C(C=CC3C2=CC(S(=O)(=O)O)=CC=3S(=O)(=O)[O-])[N+](CCCCCC(NCCCN=[N+]=[N-])=O)=C1/C=C/C=C/C=C1C(C)(C)C2=C(C=CC3C2=CC(S(=O)(=O)O)=CC=3S(=O)(=O)O)N1C.[KH]
InchiKey:
YZENQIBCSLAWAQ-UHFFFAOYSA-N
Inchi:
InChI=1S/C43H48N6O13S4.K.H/c1-42(2)37(48(5)33-18-16-29-31(40(33)42)23-27(63(51,52)53)25-35(29)65(57,58)59)13-8-6-9-14-38-43(3,4)41-32-24-28(64(54,55)56)26-36(66(60,61)62)30(32)17-19-34(41)49(38)22-11-7-10-15-39(50)45-20-12-21-46-47-44;;/h6,8-9,13-14,16-19,23-26H,7,10-12,15,20-22H2,1-5H3,(H4-,45,50,51,52,53,54,55,56,57,58,59,60,61,62);;
