| SpectraBase Spectrum ID |
AiWapiuC0LD |
| Name |
2,7,12,17-tetrakis(Phenylethynyl)-1,4 : 5,8 : 15, 18-tetrasulfido[20]annulene |
| Alternate Name(s) |
3,10,14,19-tetrakis(phenylethynyl)-21,22,23,24-tetrathiapentacyclo[16.2.1.1(2,5).1(8,11).1(12,15)]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene
{4,9,14,19-tetrakis(Phenylethynyl)-[2.0.2.0]-(2,5)thiophenophene-1,11-diene} |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C52H28S4 |
| InChI |
InChI=1S/C52H28S4/c1-5-13-37(14-6-1)21-25-41-35-49-51-43(27-23-39-17-9-3-10-18-39)33-45(53-51)29-30-46-34-44(28-24-40-19-11-4-12-20-40)52(54-46)50-36-42(26-22-38-15-7-2-8-16-38)48(56-50)32-31-47(41)55-49/h1-20,29-36H/b30-29-,32-31-,45-29-,46-30-,47-31-,48-32-,51-49-,52-50- |
| InChIKey |
SMEDYEANQYLPPY-OTUAFCBBSA-N |
| Molecular Weight |
781.036 g/mol |
| SMILES |
c12-c3c(C#Cc4ccccc4)cc(s3)\C=C/c3sc(-c4sc(c(c4)C#Cc4ccccc4)\C=C/c(s2)c(c1)C#Cc1ccccc1)c(c3)C#Cc1ccccc1 |
| SPLASH |
splash10-001i-0000002900-b4be5ad726fcca47bd9a |
| Source of Spectrum |
U1-1998-528-2 |
| Wiley ID |
750803 |
![2,7,12,17-tetrakis(Phenylethynyl)-1,4 : 5,8 : 15, 18-tetrasulfido[20]annulene](/api/spectrum/AiWapiuC0LD/structure.png?h=300&w=458 "2,7,12,17-tetrakis(Phenylethynyl)-1,4 : 5,8 : 15, 18-tetrasulfido[20]annulene")
