Cyanine3.5 NHS ester

Catalog Number

ACM2231670850

CAS

2231670-85-0

IUPAC Name

(2,5-dioxopyrrolidin-1-yl)6-[1,1-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-3-yl]hexanoate;trifluoroborane;fluoride

Molecular Weight

741.62

Molecular Formula

C42H44N3BF4O4

Canonical SMILES

B(F)(F)F.CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC=C4C(C5=C(N4CCCCCC(=O)ON6C(=O)CCC6=O)C=CC7=CC=CC=C75)(C)C)C.[F-]

InChI

InChI=1S/C42H44N3O4.BF3.FH/c1-41(2)34(43(5)32-23-21-28-14-8-10-16-30(28)39(32)41)18-13-19-35-42(3,4)40-31-17-11-9-15-29(31)22-24-33(40)44(35)27-12-6-7-20-38(48)49-45-36(46)25-26-37(45)47;2-1(3)4;/h8-11,13-19,21-24H,6-7,12,20,25-27H2,1-5H3;;1H/q+1;;/p-1

InChI Key

AJQWBYBQWPADLY-UHFFFAOYSA-M

Purity

95%

Appearance

Dark purple powder

Storage

-20 °C in the dark

Emission Maximum

604 nm

Excitation Maximum

591 nm

• Catalog Number: ACM2231670850
• CAS: 2231670-85-0
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl)6-[1,1-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-3-yl]hexanoate;trifluoroborane;fluoride
• Molecular Weight: 741.62
• Molecular Formula: C42H44N3BF4O4
• Canonical SMILES: B(F)(F)F.CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC=C4C(C5=C(N4CCCCCC(=O)ON6C(=O)CCC6=O)C=CC7=CC=CC=C75)(C)C)C.[F-]
• InChI: InChI=1S/C42H44N3O4.BF3.FH/c1-41(2)34(43(5)32-23-21-28-14-8-10-16-30(28)39(32)41)18-13-19-35-42(3,4)40-31-17-11-9-15-29(31)22-24-33(40)44(35)27-12-6-7-20-38(48)49-45-36(46)25-26-37(45)47;2-1(3)4;/h8-11,13-19,21-24H,6-7,12,20,25-27H2,1-5H3;;1H/q+1;;/p-1
• InChI Key: AJQWBYBQWPADLY-UHFFFAOYSA-M
• Purity: 95%
• Appearance: Dark purple powder
• Storage: -20 °C in the dark
• Emission Maximum: 604 nm
• Excitation Maximum: 591 nm