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17,17,18,18-tetradehydro-5-(phenylazo)-1,10-bis(p-tolylsulphonyl)-1,10-diaza[2](1,3)benzeno[2](1,2)benzeno[2](1,2)benzenophane

View entire compound with spectra: 1 MS (GC)

17,17,18,18-tetradehydro-5-(phenylazo)-1,10-bis(p-tolylsulphonyl)-1,10-diaza[2](1,3)benzeno[2](1,2)benzeno[2](1,2)benzenophane
SpectraBase Compound ID FVqCZahsz8c
InChI InChI=1S/C42H34N4O4S2/c1-31-16-22-39(23-17-31)51(47,48)45-29-33-26-34(28-38(27-33)44-43-37-12-4-3-5-13-37)30-46(52(49,50)40-24-18-32(2)19-25-40)42-15-9-7-11-36(42)21-20-35-10-6-8-14-41(35)45/h3-19,22-28H,29-30H2,1-2H3/b44-43-
InChIKey LAQNKKDEWTWGTH-HFDYVGAYSA-N
Mol Weight 722.9 g/mol
Molecular Formula C42H34N4O4S2
Exact Mass 722.202148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7JQ02vYR47u
Name 17,17,18,18-tetradehydro-5-(phenylazo)-1,10-bis(p-tolylsulphonyl)-1,10-diaza[2](1,3)benzeno[2](1,2)benzeno[2](1,2)benzenophane
Alternate Name(s) 3,18-bis[(4-methylphenyl)sulfonyl]-22-[(Z)-phenyldiazenyl]-3,18-diazatetracyclo[18.3.1.0(4,9).0(12,17)]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-10-yne
CAS Registry Number 131298-30-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H34N4O4S2
InChI InChI=1S/C42H34N4O4S2/c1-31-16-22-39(23-17-31)51(47,48)45-29-33-26-34(28-38(27-33)44-43-37-12-4-3-5-13-37)30-46(52(49,50)40-24-18-32(2)19-25-40)42-15-9-7-11-36(42)21-20-35-10-6-8-14-41(35)45/h3-19,22-28H,29-30H2,1-2H3/b44-43-
InChIKey LAQNKKDEWTWGTH-HFDYVGAYSA-N
Molecular Weight 722.878 g/mol
SMILES c12N(S(c3ccc(cc3)C)(=O)=O)Cc3cc(CN(c4c(C#Cc1cccc2)cccc4)S(c1ccc(cc1)C)(=O)=O)cc(c3)\N=N/c1ccccc1
SPLASH splash10-0a4i-0092340200-814626fc5df7262e7fde
Source of Spectrum K-124-1226-9
Wiley ID 1415695