Catalog Number:
AG003MB2
Chemical Name:
D149 Dye
CAS Number:
786643-20-7
Molecular Formula:
C42H35N3O4S3
Molecular Weight:
741.9400
MDL Number:
MFCD13184819
IUPAC Name:
2-[(2E,5Z)-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
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-,41-38+
InChI Key:
OZFUEQNYOBIXTB-SJIUXOFISA-N
SMILES:
CCN1C(=S)S/C(=c/2\s/c(=C/c3ccc4c(c3)[C@H]3CCC[C@H]3N4c3ccc(cc3)C=C(c3ccccc3)c3ccccc3)/c(=O)n2CC(=O)O)/C1=O
