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((4'-[(Carboxymethyl)sulfonyl][1,1'-biphenyl]-4-yl)sulfonyl)acetic acid

View entire compound with spectra: 2 MS (GC)

((4'-[(Carboxymethyl)sulfonyl][1,1'-biphenyl]-4-yl)sulfonyl)acetic acid
SpectraBase Compound ID 2mYa8Q2oFTf
InChI InChI=1S/C16H14O8S2/c17-15(18)9-25(21,22)13-5-1-11(2-6-13)12-3-7-14(8-4-12)26(23,24)10-16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChIKey UZBYSHDPMPNKPI-UHFFFAOYSA-N
Mol Weight 398.4 g/mol
Molecular Formula C16H14O8S2
Exact Mass 398.01301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bLhsr0jZcK
Name ((4'-[(Carboxymethyl)sulfonyl][1,1'-biphenyl]-4-yl)sulfonyl)acetic acid
CAS Registry Number 91737-82-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O8S2
InChI InChI=1S/C16H14O8S2/c17-15(18)9-25(21,22)13-5-1-11(2-6-13)12-3-7-14(8-4-12)26(23,24)10-16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChIKey UZBYSHDPMPNKPI-UHFFFAOYSA-N
Molecular Weight 398.400 g/mol
SMILES OC(CS(c1ccc(-c2ccc(S(CC(=O)O)(=O)=O)cc2)cc1)(=O)=O)=O
SPLASH splash10-0udl-9700000000-4111c76e96e1c932db4c
Synonyms 2-[4-[4-(carboxymethylsulfonyl)phenyl]phenyl]sulfonylacetic acid 4,4'-Biphenylenebis(sulfonylacetic acid)
Wiley ID 1470442