Tetrathia[22]annulene[2,1,2,1]

SpectraBase Compound ID	5gXQJVLxiXb
InChI	InChI=1S/C22H14S4/c1-2-16-6-10-20(24-16)14-22-12-8-18(26-22)4-3-17-7-11-21(25-17)13-19-9-5-15(1)23-19/h1-14H/b2-1-,4-3-,15-1-,16-2-,17-3-,18-4-,19-13-,20-14-,21-13-,22-14-
InChIKey	LRTKOUYJKVEMEJ-QWZKQTBJSA-N Google Search
Mol Weight	406.6 g/mol
Molecular Formula	C22H14S4
Exact Mass	405.997835 g/mol

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SpectraBase Spectrum ID	HceMF58Jirc
Name	Tetrathia[22]annulene[2,1,2,1]
Alternate Name(s)	23,24,25,26-tetrathiapentacyclo[18.2.1.1(3,6).1(9,12).1(14,17)]hexacosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H14S4
InChI	InChI=1S/C22H14S4/c1-2-16-6-10-20(24-16)14-22-12-8-18(26-22)4-3-17-7-11-21(25-17)13-19-9-5-15(1)23-19/h1-14H/b2-1-,4-3-,15-1-,16-2-,17-3-,18-4-,19-13-,20-14-,21-13-,22-14-
InChIKey	LRTKOUYJKVEMEJ-QWZKQTBJSA-N
Molecular Weight	406.594 g/mol
SMILES	c12\C=C\3S\C(=C/C=C/4S\C(=C/c5sc(\C=C/c(s2)cc1)cc5)C=C4)C=C3
SPLASH	splash10-0a4i-0010900000-0fe46b4008a8a9e93d3b
Source of Spectrum	J-59-8075-14
Wiley ID	1372101