D-149 Dye

Analyte Name

D-149 Dye

CAS Number

786643-20-7

Molecular Formula

C42 H35 N3 O4 S3

Molecular Weight

741.94

Accurate Mass

741.179

SMILES

CCN1C(=S)S\C(=C/2\S\C(=C\c3ccc4N(C5CCCC5c4c3)c6ccc(C=C(c7ccccc7)c8ccccc8)cc6)\C(=O)N2CC(=O)O)\C1=O

InChI

InChI=1S/C42H35N3O4S3/c1-2-43-40(49)38(52-42(43)50)41-44(25-37(46)47)39(48)36(51-41)24-27-18-21-35-33(23-27)31-14-9-15-34(31)45(35)30-19-16-26(17-20-30)22-32(28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-13,16-24,31,34H,2,9,14-15,25H2,1H3,(H,46,47)/b36-24+,

IUPAC

2-[(2E,5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat