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3,11-Dithiatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaene, 7,18-dimethoxy-15,17-dinitro-, 3,3,11,11-tetraoxide, stereoisomer
SpectraBase Compound ID dGFjxFykLJ
InChI InChI=1S/C18H18N2O10S2/c1-29-16-5-13-9-31(25,26)7-11-3-15(19(21)22)4-12(17(11)20(23)24)8-32(27,28)10-14(6-16)18(13)30-2/h3-6H,7-10H2,1-2H3
InChIKey BTBHQVMFXXWCQK-UHFFFAOYSA-N
Mol Weight 486.47 g/mol
Molecular Formula C18H18N2O10S2
Exact Mass 486.040287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZvuakxjuBk
Name 3,11-Dithiatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaene, 7,18-dimethoxy-15,17-dinitro-, 3,3,11,11-tetraoxide, stereoisomer
CAS Registry Number 96409-80-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2O10S2
InChI InChI=1S/C18H18N2O10S2/c1-29-16-5-13-9-31(25,26)7-11-3-15(19(21)22)4-12(17(11)20(23)24)8-32(27,28)10-14(6-16)18(13)30-2/h3-6H,7-10H2,1-2H3
InChIKey BTBHQVMFXXWCQK-UHFFFAOYSA-N
Molecular Weight 486.466 g/mol
SMILES C1S(Cc2c(c(CS(Cc3c(c1cc(c3)N(=O)=O)N(=O)=O)(=O)=O)cc(c2)OC)OC)(=O)=O
SPLASH splash10-001r-0093700000-a57d16c871b0a4fd0e89
Source of Spectrum K-118-1226-22
Synonyms 6,9-Dimethoxy-15,18-dinitro-2,11-dithia[3.3]metacyclophan-2,2,11,11-tetraoxid 7,18-dimethoxy-15,17-dinitro-3,11-dithiatricyclo[11.3.1.1(5,9)]octadeca-1(17),5(18),6,8,13,15-hexaene 3,3,11,11-tetraoxide
Wiley ID 1396363