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2-[4-[[4-(carboxymethylsulfanyl)phenyl]methyl]phenyl]sulfanylacetic acid
SpectraBase Compound ID 83gzi8v7QCh
InChI InChI=1S/C17H16O4S2/c18-16(19)10-22-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)23-11-17(20)21/h1-8H,9-11H2,(H,18,19)(H,20,21)
InChIKey ZAQPFFUYXYQCFR-UHFFFAOYSA-N
Mol Weight 348.43 g/mol
Molecular Formula C17H16O4S2
Exact Mass 348.049001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6b0tXiRkcKE
Name 2-[4-[[4-(carboxymethylsulfanyl)phenyl]methyl]phenyl]sulfanylacetic acid
Alternate Name(s) 2-[[4-[4-(carboxymethylthio)benzyl]phenyl]thio]acetic acid 2-[[4-[[4-(carboxymethylthio)phenyl]methyl]phenyl]thio]acetic acid
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Formula C17H16O4S2
InChI InChI=1S/C17H16O4S2/c18-16(19)10-22-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)23-11-17(20)21/h1-8H,9-11H2,(H,18,19)(H,20,21)
InChIKey ZAQPFFUYXYQCFR-UHFFFAOYSA-N
Molecular Weight 348.431 g/mol
SMILES OC(CSc1ccc(Cc2ccc(SCC(=O)O)cc2)cc1)=O
SPLASH splash10-0007-9500000000-565178a6700c6b125719
Wiley ID 1450424