| SpectraBase Spectrum ID |
5t5LwLbGpEd |
| Name |
Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol, 5,17-dichloro-11,23-dinitro-, stereoisomer |
| Alternate Name(s) |
5,17-Dichloro-11,23-dinitro-25,26,27,28-tetrahydroxycalix[4]arene
5,17-dichloro-11,23-dinitropentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol |
| CAS Registry Number |
127679-86-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H20Cl2N2O8 |
| InChI |
InChI=1S/C28H20Cl2N2O8/c29-21-5-13-1-17-9-23(31(37)38)10-18(27(17)35)3-15-7-22(30)8-16(26(15)34)4-20-12-24(32(39)40)11-19(28(20)36)2-14(6-21)25(13)33/h5-12,33-36H,1-4H2 |
| InChIKey |
GZHFUAQZMIUNPY-UHFFFAOYSA-N |
| Molecular Weight |
583.380 g/mol |
| SMILES |
Oc1c2cc(cc1Cc1c(c(Cc3cc(cc(Cc4c(c(C2)cc(c4)Cl)O)c3O)N(=O)=O)cc(c1)Cl)O)N(=O)=O |
| SPLASH |
splash10-001i-0000090000-29b7bd385eb6deb9b23d |
| Source of Spectrum |
F-46-679-16 |
| Wiley ID |
1408625 |
![Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol, 5,17-dichloro-11,23-dinitro-, stereoisomer](/api/spectrum/5t5LwLbGpEd/structure.png?h=300&w=458 "Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol, 5,17-dichloro-11,23-dinitro-, stereoisomer")
