化学式

CAS号

IUPAC Name

4-[2-[(Z)-2-[(3Z)-2-[4-(1-氯-2,5-二氧代吡咯烷-3-基)苯氧基]-3-[(2Z)-2-[1,1-二甲基-3-(4-磺丁基)苯并[e]吲哚-2-亚基]亚乙基]环己烯-1-基]乙烯基]-1,1-二甲基苯并[e]吲哚-3-ium-3-基]丁烷-1-磺酸钠 4-[2-[(Z)-2-[(3Z)-2-[4-(1-chloro-2,5-dioxopyrrolidin-3-yl)phenoxy]-3-[(2Z)-2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]butane-1-sulfonate

InChI

InChI=1S/C56H58ClN3O9S2/c1-55(2)48(58(32-9-11-34-70(63,64)65)46-28-22-37-14-5-7-18-43(37)51(46)55)30-24-40-16-13-17-41(53(40)69-42-26-20-39(21-27-42)45-36-50(61)60(57)54(45)62)25-31-49-56(3,4)52-44-19-8-6-15-38(44)23-29-47(52)59(49)33-10-12-35-71(66,67)68/h5-8,14-15,18-31,45H,9-13,16-17,32-36H2,1-4H3,(H-,63,64,65,66,67,68)

InChI Key

YIHPRVLFFGAHIT-UHFFFAOYSA-N

Canonical SMILES

CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])C=CC4=C(C(=CC=C5C(C6=C(N5CCCCS(=O)(=O)O)C=CC7=CC=CC=C76)(C)C)CCC4)OC8=CC=C(C=C8)C9CC(=O)N(C9=O)Cl)C

别名

• 4-(2-(2-(2-(4-(1-chloro-2,5-dioxopyrrolidin-3-yl)phenoxy)-3-(2-(1,1-dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
• 792883-47-7