| SpectraBase Spectrum ID |
K62SYW4lru1 |
| Name |
Benzoic acid, 2-nitro-3,5-bis(octylthio)- |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H37NO4S2 |
| InChI |
InChI=1S/C23H37NO4S2/c1-3-5-7-9-11-13-15-29-19-17-20(23(25)26)22(24(27)28)21(18-19)30-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3,(H,25,26) |
| InChIKey |
ASQWQINKDWKLCJ-UHFFFAOYSA-N |
| Molecular Weight |
455.672 g/mol |
| SMILES |
OC(c1c(c(cc(SCCCCCCCC)c1)SCCCCCCCC)[N+]([O-])=O)=O |
| SPLASH |
splash10-052f-9324200000-f0808dd8ebec26e20bc5 |
| Source of Spectrum |
JX-2015-4-659 |
| Synonyms |
2-Nitro-3,5-bis(octylthio)benzoic acid
2-Nitro-3,5-bis(octylsulfanyl)benzoic acid |
| Wiley ID |
1726083 |
