Coppersensor 790

CAT: 0572-TRC-B141720-25MGSize: 25 mgDry Ice: NoHazardous: No
CAT#:0572-TRC-B141720-25MGSize:25 mg
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CAS Number
1417164-91-0
Synonyms
1-(2-carboxyethyl)-2-((Z)-2-((E)-3-(2-((E)-1-(2-carboxyethyl)-3,3-dimethylindolin-2-ylidene)ethylidene)-2-(4-((3-(methylthio)propyl)amino)-3-((3-(methylthio)propyl)thio)phenoxy)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-3H-indol-1-ium
Hazard Statement
No Data Available
Smiles
CC1(C)C2=CC=CC=C2[N+](CCC(O)=O)=C1/C=C\C(CCC/3)=C(OC4=CC(SCCCSC)=C(NCCCSC)C=C4)C3=C\C=C(C5(C)C)\N(C6=CC=CC=C65)CCC(O)=O.[Br-]
Molecular Formula
C50H62N3O5S3 . Br
Molecular Weight
961.14
InChI
InChI=1S/C50H61N3O5S3.Br/c1-49(2)38-16-7-9-18-41(38)52(29-26-46(54)55)44(49)24-20-35-14-11-15-36(21-25-45-50(3,4)39-17-8-10-19-42(39)53(45)30-27-47(56)57)48(35)58-37-22-23-40(51-28-12-31-59-5)43(34-37)61-33-13-32-60-6;/h7-10,16-25,34,51H,11-15,26-33H2,1-6H3,(H-,54,55,56,57);/q;-1/p+1
Additionnal Information
IUPAC name: 3H-Indolium, 1-[3-[(acetyloxy)methoxy]-3-oxopropyl]-2-[(1E)-2-[(3E)-3-[(2E)-2-[1-[3-[(acetyloxy)methoxy]-3-oxopropyl]-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene]ethylidene]-2-[4-[[3-(methylthio)propyl]amino]-3-[[3-(methylthio)propyl]thio]phenoxy]-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-, bromide (1:1)
Shipping Conditions
Room Temperature

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