| SpectraBase Spectrum ID |
KsYqVd27SQB |
| Name |
2,9-Bis(3-butyl-2-hydroxymethylheptyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetraone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C48H58N2O6 |
| InChI |
InChI=1S/C48H58N2O6/c1-5-9-13-29(14-10-6-2)31(27-51)25-49-45(53)37-21-17-33-35-19-23-39-44-40(24-20-36(42(35)44)34-18-22-38(46(49)54)43(37)41(33)34)48(56)50(47(39)55)26-32(28-52)30(15-11-7-3)16-12-8-4/h17-24,29-32,51-52H,5-16,25-28H2,1-4H3 |
| InChIKey |
MOCKQTSXEGEYKG-UHFFFAOYSA-N |
| Molecular Weight |
759.000 g/mol |
| SMILES |
OCC(CN1C(c2c3c4c(c5ccc6c7c5c(ccc7C(N(CC(CO)C(CCCC)CCCC)C6=O)=O)c4cc2)ccc3C1=O)=O)C(CCCC)CCCC |
| SPLASH |
splash10-0006-0009530100-34b39b49b87c5edd611c |
| Source of Spectrum |
QE-12-4645-1 |
| Synonyms |
2,9-bis[3-butyl-2-(hydroxymethyl)heptyl]isoquino[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone |
| Wiley ID |
1587082 |
![2,9-Bis(3-butyl-2-hydroxymethylheptyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetraone](/api/spectrum/KsYqVd27SQB/structure.png?h=300&w=458 "2,9-Bis(3-butyl-2-hydroxymethylheptyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetraone")
