| SpectraBase Spectrum ID |
IuwkzVECzKD |
| Name |
1,8-Bis[5-carboxy-6-(4'-(2'-carboxyethenyl)phenyl)-2H,9H-naphtho[1,8a,8:c,d]pyridine-2,9-dione]octane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C52H40N2O12 |
| InChI |
InChI=1S/C52H40N2O12/c55-41(56)25-11-29-7-13-31(14-8-29)33-17-19-35-45-37(21-23-39(43(33)45)51(63)64)49(61)53(47(35)59)27-5-3-1-2-4-6-28-54-48(60)36-20-18-34(32-15-9-30(10-16-32)12-26-42(57)58)44-40(52(65)66)24-22-38(46(36)44)50(54)62/h7-26H,1-6,27-28H2,(H,55,56)(H,57,58)(H,63,64)(H,65,66)/b25-11+,26-12+ |
| InChIKey |
DNPIQXFPTIWJJW-KOZSXFMUSA-N |
| Molecular Weight |
884.894 g/mol |
| SMILES |
OC(\C=C\c1ccc(-c2ccc3c4c2c(ccc4C(N(CCCCCCCCN2C(c4c5c(c(-c6ccc(\C=C\C(=O)O)cc6)ccc5C2=O)c(cc4)C(=O)O)=O)C3=O)=O)C(=O)O)cc1)=O |
| SPLASH |
splash10-000i-0000000090-fb5fc5f6a625c9d0e0ef |
| Source of Spectrum |
H1-55-1540-8 |
| Wiley ID |
1564569 |
![1,8-Bis[5-carboxy-6-(4'-(2'-carboxyethenyl)phenyl)-2H,9H-naphtho[1,8a,8:c,d]pyridine-2,9-dione]octane](/api/spectrum/IuwkzVECzKD/structure.png?h=300&w=458 "1,8-Bis[5-carboxy-6-(4'-(2'-carboxyethenyl)phenyl)-2H,9H-naphtho[1,8a,8:c,d]pyridine-2,9-dione]octane")
