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12H-18,9-([1,2]Benzenothiomethano)-7,11-metheno-6H,18H-dibenzo[b,e][1,7,4]dithiaphosphacyclotetradecin, 5,5,13,13,25,25-hexaoxide

View entire compound with spectra: 1 MS (GC)

12H-18,9-([1,2]Benzenothiomethano)-7,11-metheno-6H,18H-dibenzo[b,e][1,7,4]dithiaphosphacyclotetradecin, 5,5,13,13,25,25-hexaoxide
SpectraBase Compound ID EjhKwWcBrtv
InChI InChI=1S/C27H21O6PS3/c28-35(29)16-19-13-20-15-21(14-19)18-37(32,33)27-12-6-3-9-24(27)34(22-7-1-4-10-25(22)35)23-8-2-5-11-26(23)36(30,31)17-20/h1-15H,16-18H2
InChIKey ZAZBCTUSJBKKCV-UHFFFAOYSA-N
Mol Weight 568.61 g/mol
Molecular Formula C27H21O6PS3
Exact Mass 568.023789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2HTVgkcos0
Name 12H-18,9-([1,2]Benzenothiomethano)-7,11-metheno-6H,18H-dibenzo[b,e][1,7,4]dithiaphosphacyclotetradecin, 5,5,13,13,25,25-hexaoxide
Alternate Name(s) 8,16,29-trithia-1-phosphahexacyclo[10.10.8.1(10,14).0(2,7).0(17,22).0(23,28)]hentriaconta-2,4,6,10,12,14(31),17,19,21,23,25,27-dodecaene 8,8,16,16,29,29-hexaoxide Phosphaphane trisulfone
CAS Registry Number 128803-20-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21O6PS3
InChI InChI=1S/C27H21O6PS3/c28-35(29)16-19-13-20-15-21(14-19)18-37(32,33)27-12-6-3-9-24(27)34(22-7-1-4-10-25(22)35)23-8-2-5-11-26(23)36(30,31)17-20/h1-15H,16-18H2
InChIKey ZAZBCTUSJBKKCV-UHFFFAOYSA-N
Molecular Weight 568.613 g/mol
SMILES c12S(Cc3cc4CS(c5c(P(c2cccc1)c1c(S(Cc(c3)c4)(=O)=O)cccc1)cccc5)(=O)=O)(=O)=O
SPLASH splash10-004r-0008940000-cc2e92b746b76f3358bd
Source of Spectrum C-113-2676-8
Wiley ID 1407477