D 358
Catalog Number
ACM1207638536-1
CAS
1207638-53-6
IUPAC Name
12-[(5E)-5-[(5E)-3-(carboxymethyl)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]dodecanoic acid
Synonyms
12-[3-(Carboxymethyl)-5-[[4-[4-(2,2-diphenylvinyl)phenyl]-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indol-7-yl]methylene]-4,4'-dioxo-2'-thioxo-4,5-dihydro-2'H,3H-[2,5'-bithiazolylidene]-3'(4'H)-yl]dodecanoic Acid
Application
Photosensitive Red-Violet dye having excellent photoelectric conversion efficiency.
Molecular Weight
912.19
Molecular Formula
C52H53N3O6S3
Product Information
Canonical SMILES
C1CC2C(C1)N(C3=C2C=C(C=C3)C=C4C(=O)N(C(=C5C(=O)N(C(=S)S5)CCCCCCCCCCCC(=O)O)S4)CC(=O)O)C6=CC=C(C=C6)C=C(C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChI=1S/C52H53N3O6S3/c56-46(57)23-14-6-4-2-1-3-5-7-15-30-53-50(61)48(64-52(53)62)51-54(34-47(58)59)49(60)45(63-51)33-36-26-29-44-42(32-36)40-21-16-22-43(40)55(44)39-27-24-35(25-28-39)31-41(37-17-10-8-11-18-37)38-19-12-9-13-20-38/h8-13,17-20,24-29,31-33,40,43H,1-7,14-16,21-23,30,34H2,(H,56,57)(H,58,59)/b45-33?,51-48+
InChI Key
HXSDFCKKOUCOIZ-XCSHDWRRSA-N
Melting Point
307 °C(dec.)
Purity
>95.0%HPLC
Appearance
Dark red powder to crystal
Storage
Store under inert gas
Complexity
1760
Condition to avoid
Air Sensitive,Moisture Sensitive
Exact Mass
911.30965g/mol
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
64
MDL Number
MFCD11042213
Monoisotopic Mass
911.30965g/mol
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Reaxys Registry Number
18884319
Rotatable Bond Count
19
Signal Word
Warning
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