| SpectraBase Spectrum ID |
6ZRqz5uvFOi |
| Name |
1,4-Bis[5-carboxy-6-(4'-(2'-carboxyethenyl)phenyl)-2H,9H-naphtho[1,8a,8:c,d]pyridine-2,9-dione]benzene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C50H28N2O12 |
| InChI |
InChI=1S/C50H28N2O12/c53-39(54)23-5-25-1-7-27(8-2-25)31-15-17-33-43-35(19-21-37(41(31)43)49(61)62)47(59)51(45(33)57)29-11-13-30(14-12-29)52-46(58)34-18-16-32(28-9-3-26(4-10-28)6-24-40(55)56)42-38(50(63)64)22-20-36(44(34)42)48(52)60/h1-24H,(H,53,54)(H,55,56)(H,61,62)(H,63,64)/b23-5+,24-6+ |
| InChIKey |
QFWGVQDOHQRFMC-QVKIOAGYSA-N |
| Molecular Weight |
848.776 g/mol |
| SMILES |
OC(\C=C\c1ccc(-c2ccc3c4c2c(ccc4C(N(c2ccc(N4C(c5c6c(c(C(=O)O)ccc6C4=O)c(cc5)-c4ccc(\C=C\C(=O)O)cc4)=O)cc2)C3=O)=O)C(=O)O)cc1)=O |
| SPLASH |
splash10-014i-0000000900-a50cc89af0b757f0ea67 |
| Source of Spectrum |
H1-55-1538-8 |
| Wiley ID |
1564574 |
![1,4-Bis[5-carboxy-6-(4'-(2'-carboxyethenyl)phenyl)-2H,9H-naphtho[1,8a,8:c,d]pyridine-2,9-dione]benzene](/api/spectrum/6ZRqz5uvFOi/structure.png?h=300&w=458 "1,4-Bis[5-carboxy-6-(4'-(2'-carboxyethenyl)phenyl)-2H,9H-naphtho[1,8a,8:c,d]pyridine-2,9-dione]benzene")
