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17,17,18,18-tetradehydro-8-nitro-1,10-bis(p-tolylsulphonyl)-1,10-diaza[2](1,3)benzeno[2](1,2)benzeno[2](1,2)benzenophane
SpectraBase Compound ID 8AfISrfQHNo
InChI InChI=1S/C36H29N3O6S2/c1-26-14-20-32(21-15-26)46(42,43)37-24-30-10-7-11-31(36(30)39(40)41)25-38(47(44,45)33-22-16-27(2)17-23-33)35-13-6-4-9-29(35)19-18-28-8-3-5-12-34(28)37/h3-17,20-23H,24-25H2,1-2H3
InChIKey SUGZNOIMXHGZET-UHFFFAOYSA-N
Mol Weight 663.8 g/mol
Molecular Formula C36H29N3O6S2
Exact Mass 663.149778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAweWcBJCnS
Name 17,17,18,18-tetradehydro-8-nitro-1,10-bis(p-tolylsulphonyl)-1,10-diaza[2](1,3)benzeno[2](1,2)benzeno[2](1,2)benzenophane
CAS Registry Number 131298-28-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H29N3O6S2
InChI InChI=1S/C36H29N3O6S2/c1-26-14-20-32(21-15-26)46(42,43)37-24-30-10-7-11-31(36(30)39(40)41)25-38(47(44,45)33-22-16-27(2)17-23-33)35-13-6-4-9-29(35)19-18-28-8-3-5-12-34(28)37/h3-17,20-23H,24-25H2,1-2H3
InChIKey SUGZNOIMXHGZET-UHFFFAOYSA-N
Molecular Weight 663.763 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)c2c(C#Cc3c(N(Cc4c(c1ccc4)N(=O)=O)S(c1ccc(cc1)C)(=O)=O)cccc3)cccc2
SPLASH splash10-0a4i-0009140000-cb0b8f934e2a269872c5
Source of Spectrum K-124-1226-7
Synonyms 3,18-bis[(4-methylphenyl)sulfonyl]-24-nitro-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
Wiley ID 1413677