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acetic acid, [2-[[3-[(2,3-dihydroxypropyl)thio]-5-nitrophenyl]amino]-2-oxoethoxy]-
SpectraBase Compound ID 59VRp41ns0d
InChI InChI=1S/C13H16N2O8S/c16-4-10(17)7-24-11-2-8(1-9(3-11)15(21)22)14-12(18)5-23-6-13(19)20/h1-3,10,16-17H,4-7H2,(H,14,18)(H,19,20)
InChIKey XTICOGVEBSWWSP-UHFFFAOYSA-N
Mol Weight 360.34 g/mol
Molecular Formula C13H16N2O8S
Exact Mass 360.062737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8PCikXefYAQ
Name 2-[2-[3-(2,3-dihydroxypropylsulfanyl)-5-nitro-anilino]-2-oxo-ethoxy]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O8S
InChI InChI=1S/C13H16N2O8S/c16-4-10(17)7-24-11-2-8(1-9(3-11)15(21)22)14-12(18)5-23-6-13(19)20/h1-3,10,16-17H,4-7H2,(H,14,18)(H,19,20)
InChIKey XTICOGVEBSWWSP-UHFFFAOYSA-N
Molecular Weight 360.337 g/mol
SMILES OCC(CSc1cc(N(=O)=O)cc(NC(COCC(=O)O)=O)c1)O
SPLASH splash10-00di-2910000000-d293029b309c535db567
Synonyms 2-[2-[3-(2,3-dihydroxypropylthio)-5-nitroanilino]-2-oxoethoxy]acetic acid 2-[2-[3-(glycerylthio)-5-nitro-anilino]-2-keto-ethoxy]acetic acid 2-[2-[[3-[2,3-bis(oxidanyl)propylsulfanyl]-5-nitro-phenyl]amino]-2-oxidanylidene-ethoxy]ethanoic acid
Wiley ID 1452507