| SpectraBase Spectrum ID |
8KvGdOzT0oA |
| Name |
1,32:4,6:9,12:15,18:21,23:29,26-Hexamethenotetrabenzo[a,d,n,q]cyclohe xacosene, 2,3,7,8,13,14,19,20,24,25,30,31-dodecahydro-13,31-bis(methylthio)- |
| Alternate Name(s) |
16,38-bis(methylsulfanyl)undecacyclo[37.3.1.1(4,8).1(11,15).1(18,22).1(25,29).1(32,36).0(5,42).0(7,12).0(21,26).0(28,33)]octatetraconta-1(43),4(48),5,7,11(47),12,14,18(46),19,21,25(45),26,28,32,33,35,39,41-octadecaene
5,6,8,9,21,22,24,25-Octahydro-1,17(18)-bis(methylthio)[2.2](3,11)dibenzo[a,j]anthracenophane |
| CAS Registry Number |
87774-39-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C50H44S2 |
| InChI |
InChI=1S/C50H44S2/c1-51-49-21-29-3-15-41-31(19-29)5-9-35-23-36-10-6-32-20-30(4-16-42(32)46(36)27-45(35)41)22-50(52-2)40-14-18-44-34(26-40)8-12-38-24-37-11-7-33-25-39(49)13-17-43(33)47(37)28-48(38)44/h3-4,13-20,23-28,49-50H,5-12,21-22H2,1-2H3 |
| InChIKey |
QHRXKEQIDZEYIF-UHFFFAOYSA-N |
| Molecular Weight |
709.022 g/mol |
| SMILES |
c12-c3c4cc(cc3)CC(c3cc5CCc6c(-c5cc3)cc3-c5ccc(C(Cc7ccc8-c(c1)c(cc2CC4)CCc8c7)SC)cc5CCc3c6)SC |
| SPLASH |
splash10-03di-0000009300-8c7bfba8bfe38be051a0 |
| Source of Spectrum |
K-116-3500-0 |
| Wiley ID |
1415308 |
![1,32:4,6:9,12:15,18:21,23:29,26-Hexamethenotetrabenzo[a,d,n,q]cyclohe xacosene, 2,3,7,8,13,14,19,20,24,25,30,31-dodecahydro-13,31-bis(methylthio)-](/api/spectrum/8KvGdOzT0oA/structure.png?h=300&w=458 "1,32:4,6:9,12:15,18:21,23:29,26-Hexamethenotetrabenzo[a,d,n,q]cyclohe xacosene, 2,3,7,8,13,14,19,20,24,25,30,31-dodecahydro-13,31-bis(methylthio)-")
