Catalog Number:
AG00II26
Chemical Name:
2-(7-(1-(5-Carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)hepta-1,3,5-trien-1-yl)-1-ethyl-3,3-dimethyl-3h-indol-1-ium-5-sulfonate
CAS Number:
943298-08-6
Molecular Formula:
C35H42N2O8S2
Molecular Weight:
682.8466
MDL Number:
MFCD26743748
IUPAC Name:
(2Z)-2-[(2E,4E,6E)-7-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
InChI:
InChI=1S/C35H42N2O8S2/c1-6-36-29-20-18-25(46(40,41)42)23-27(29)34(2,3)31(36)15-11-8-7-9-12-16-32-35(4,5)28-24-26(47(43,44)45)19-21-30(28)37(32)22-14-10-13-17-33(38)39/h7-9,11-12,15-16,18-21,23-24H,6,10,13-14,17,22H2,1-5H3,(H2-,38,39,40,41,42,43,44,45)
InChI Key:
CZWUESRDTYLNDE-UHFFFAOYSA-N
SMILES:
CC[N+]1=C(/C=C/C=C/C=C/C=C\2/N(CCCCCC(=O)O)c3c(C2(C)C)cc(cc3)S(=O)(=O)O)C(c2c1ccc(c2)S(=O)(=O)[O-])(C)C
