(12E,26E)-5,16,21,34,36-Pentabromo-4,17,23,32-tetrahydroxy-2,19-dioxa-10,28-diazapentacyclo[29.2.2.13,7.114,18.120,24]octatriaconta-3,5,7(38),14,16,18(37),20,22,24(36),31,33,34-dodecaene-11,12,26,27-tetrone 12,26-dioxime
CAS Registry Number®
1297291-67-8
CAS Name
(12E,26E)-5,16,21,34,36-Pentabromo-4,17,23,32-tetrahydroxy-2,19-dioxa-10,28-diazapentacyclo[29.2.2.13,7.114,18.120,24]octatriaconta-3,5,7(38),14,16,18(37),20,22,24(36),31,33,34-dodecaene-11,12,26,27-tetrone 12,26-dioximeMolecular Formula
C34H27Br5N4O10Molecular Mass
1051.12Cite this Page
(12E,26E)-5,16,21,34,36-Pentabromo-4,17,23,32-tetrahydroxy-2,19-dioxa-10,28-diazapentacyclo[29.2.2.13,7.114,18.120,24]octatriaconta-3,5,7(38),14,16,18(37),20,22,24(36),31,33,34-dodecaene-11,12,26,27-tetrone 12,26-dioxime. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1297291-67-8 (retrieved ) (CAS RN: 1297291-67-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C34H27Br5N4O10/c35-18-10-16-2-4-41-34(49)23(43-51)11-17-25(45)12-21(38)32(29(17)39)53-28-9-15(6-20(37)31(28)47)7-22(42-50)33(48)40-3-1-14-5-19(36)30(46)27(8-14)52-26(18)13-24(16)44/h5-6,8-10,12-13,44-47,50-51H,1-4,7,11H2,(H,40,48)(H,41,49)/b42-22+,43-23+
InChIKey
InChIKey=ZFSTWMBDMZIGJR-GXABEWBWSA-N
SMILES
BrC=1C=2OC=3C=C(C/C(=N\O)/C(=O)NCCC=4C=C(OC=5C=C(O)C(CCNC(=O)\C(=N\O)\CC1C(O)=CC2Br)=CC5Br)C(O)=C(Br)C4)C=C(Br)C3O
Canonical SMILES
O=C1NCCC2=CC(Br)=C(O)C(OC=3C=C(O)C(=CC3Br)CCNC(=O)C(=NO)CC4=C(Br)C(OC5=CC(=CC(Br)=C5O)CC1=NO)=C(Br)C=C4O)=C2
Other Names for this Substance
- 2,19-Dioxa-10,28-diazapentacyclo[29.2.2.13,7.114,18.120,24]octatriaconta-3,5,7(38),14,16,18(37),20,22,24(36),31,33,34-dodecaene-11,12,26,27-tetrone, 5,16,21,34,36-pentabromo-4,17,23,32-tetrahydroxy-, 12,26-dioxime, (12E,26E)-
- (12E,26E)-5,16,21,34,36-Pentabromo-4,17,23,32-tetrahydroxy-2,19-dioxa-10,28-diazapentacyclo[29.2.2.13,7.114,18.120,24]octatriaconta-3,5,7(38),14,16,18(37),20,22,24(36),31,33,34-dodecaene-11,12,26,27-tetrone 12,26-dioxime
- Lithothamnin A