CAS Number:
2055138-90-2
MDL No.:
MFCD29052182
Catalog Number:
A1145171
EINECS:
Molecular Formula:
C3 7 H4 5 N3 O1 0 S3
Molecular Weight:
787.96
Boiling point:
Melting point:
Flash point:
Density:
Appearance:
Storage:
Store in 2-8°C for long term (months)
Chiral Purity:
Optical Rotation:
Refractivity:
Synonyms:
2-[(1E,3E,5E)-5-[3,3-dimethyl-1-[6-oxo-6-(prop-2-ynylamino)hexyl]-5-sulfoindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-sulfonate
Smiles:
C([N+]1=C(C(C)(C)C2=CC(S([O-])(=O)=O)=CC=C12)C=CC=CC=C1C(C2=CC(S(O)(=O)=O)=CC=C2N1CCCCCC(=O)NCC#C)(C)C)CCS(O)(=O)=O
InchiKey:
DKRNQQAUDARDNM-UHFFFAOYSA-N
Inchi:
InChI=1S/C37H45N3O10S3/c1-6-21-38-35(41)16-11-8-12-22-39-31-19-17-27(52(45,46)47)25-29(31)36(2,3)33(39)14-9-7-10-15-34-37(4,5)30-26-28(53(48,49)50)18-20-32(30)40(34)23-13-24-51(42,43)44/h1,7,9-10,14-15,17-20,25-26H,8,11-13,16,21-24H2,2-5H3,(H3-,38,41,42,43,44,45,46,47,48,49,50)
