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5,7,23,25-tetrakis( Ethoxycarbonyl)-2,11,20,29-tetrathia[3.3](1,2)(1,3)-[3.3](4,5)(1,3)benzeno<3>phane
SpectraBase Compound ID 6VeAb78ezVG
InChI InChI=1S/C38H42O8S4/c1-5-43-35(39)24-11-29-20-49-17-26-10-23(15-47-22-34(29)32(13-24)38(42)46-8-4)9-25-16-48-18-27-12-28(19-50-21-33(25)26)31(37(41)45-7-3)14-30(27)36(40)44-6-2/h9-14H,5-8,15-22H2,1-4H3
InChIKey MSTIZHXELLJUBR-UHFFFAOYSA-N
Mol Weight 755.0 g/mol
Molecular Formula C38H42O8S4
Exact Mass 754.176253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9vWa1Wj1kPI
Name 5,7,23,25-tetrakis( Ethoxycarbonyl)-2,11,20,29-tetrathia[3.3](1,2)(1,3)-[3.3](4,5)(1,3)benzeno<3>phane
CAS Registry Number 140410-04-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H42O8S4
InChI InChI=1S/C38H42O8S4/c1-5-43-35(39)24-11-29-20-49-17-26-10-23(15-47-22-34(29)32(13-24)38(42)46-8-4)9-25-16-48-18-27-12-28(19-50-21-33(25)26)31(37(41)45-7-3)14-30(27)36(40)44-6-2/h9-14H,5-8,15-22H2,1-4H3
InChIKey MSTIZHXELLJUBR-UHFFFAOYSA-N
Molecular Weight 754.986 g/mol
SMILES c1(c2c(CSCc3c4CSCc5c(C(=O)OCC)cc(c(CSCc4cc(c3)CSC2)c5)C(=O)OCC)cc(c1)C(=O)OCC)C(=O)OCC
SPLASH splash10-00di-0000900300-c6fcb8b073bc13cac746
Source of Spectrum K-125-1885-15
Synonyms Tetraethyl 4,12,18,27-tetrathiapentacyclo[14.12.1.1(6,10).0(2,14).0(20,25)]triaconta-1,6(30),7,9,14,16(29),20,22,24-nonaene-7,9,21,23-tetracarboxylate
Wiley ID 1416405