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Propanoic acid, 2,2'-[2,6-naphthalenediylbis(carbonothioylthio)]bis-
SpectraBase Compound ID AdkIwUq7KGM
InChI InChI=1S/C18H16O4S4/c1-9(15(19)20)25-17(23)13-5-3-12-8-14(6-4-11(12)7-13)18(24)26-10(2)16(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)
InChIKey KSLCYNKDXSPODF-UHFFFAOYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C18H16O4S4
Exact Mass 423.993144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72rx2CLGbEj
Name Propanoic acid, 2,2'-[2,6-naphthalenediylbis(carbonothioylthio)]bis-
Alternate Name(s) 2-{[(6-{[(1-carboxyethyl)sulfanyl]carbothioyl}-2-naphthyl)carbothioyl]sulfanyl}propanoic acid
CAS Registry Number 110699-23-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O4S4
InChI InChI=1S/C18H16O4S4/c1-9(15(19)20)25-17(23)13-5-3-12-8-14(6-4-11(12)7-13)18(24)26-10(2)16(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)
InChIKey KSLCYNKDXSPODF-UHFFFAOYSA-N
Molecular Weight 424.562 g/mol
SMILES OC(C(SC(c1ccc2cc(C(SC(C(=O)O)C)=S)ccc2c1)=S)C)=O
SPLASH splash10-03kc-9511000000-8efd2d7cedb061206f68
Source of Spectrum K-121-318-3
Wiley ID 1379122