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Propanoic acid, 2,2'-[[1,1'-biphenyl]-4,4'-diylbis(carbonothioylthio)]bis-
SpectraBase Compound ID BCNjdi6Iv1V
InChI InChI=1S/C20H18O4S4/c1-11(17(21)22)27-19(25)15-7-3-13(4-8-15)14-5-9-16(10-6-14)20(26)28-12(2)18(23)24/h3-12H,1-2H3,(H,21,22)(H,23,24)
InChIKey GOCWBYCGOSUETM-UHFFFAOYSA-N
Mol Weight 450.6 g/mol
Molecular Formula C20H18O4S4
Exact Mass 450.008794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aevs94qZwnn
Name Propanoic acid, 2,2'-[[1,1'-biphenyl]-4,4'-diylbis(carbonothioylthio)]bis-
Alternate Name(s) 2-[[[4-[4-[(1-carboxyethylthio)-sulfanylidenemethyl]phenyl]phenyl]-sulfanylidenemethyl]thio]propanoic acid 2-[4-[4-(1-carboxyethylsulfanylcarbothioyl)phenyl]benzenecarbothioyl]sulfanylpropanoic acid 2-[4-[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylcarbothioylphenyl]phenyl]carbothioylsulfanylpropanoic acid
CAS Registry Number 110699-22-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O4S4
InChI InChI=1S/C20H18O4S4/c1-11(17(21)22)27-19(25)15-7-3-13(4-8-15)14-5-9-16(10-6-14)20(26)28-12(2)18(23)24/h3-12H,1-2H3,(H,21,22)(H,23,24)
InChIKey GOCWBYCGOSUETM-UHFFFAOYSA-N
Molecular Weight 450.600 g/mol
SMILES OC(C(SC(c1ccc(-c2ccc(C(SC(C(=O)O)C)=S)cc2)cc1)=S)C)=O
SPLASH splash10-0002-2962000000-e63d881f491c69fc967c
Source of Spectrum K-121-318-3
Wiley ID 1387589